Geometry & MOs

Info

ID:

427891

PubChem CID:

135164977

Reduced:

N4C20H21 (2)

Stoich.:

A4B20C21 (2)

Weight, g/mol:

693.379124

ΔHf, kcal/mol:

144.34

Dipole, Da:

6.36

IP(EA), eV:

 -8.1(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[8-[2-methyl-3-[2-methyl-3-[1-[3-[(Z)-prop-1-enyl]-5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]ethenylamino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCCC8)C

DOS

IR

Vibrations