Geometry & MOs

Info

ID:

433616

PubChem CID:

135173756

Reduced:

OCl2N8H32C33 (1)

Stoich.:

AB2C8D32E33 (1)

Weight, g/mol:

669.334672

ΔHf, kcal/mol:

78.64

Dipole, Da:

2.9

IP(EA), eV:

 -8.26(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[1-[3-[(Z)-prop-1-enyl]-5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]ethenylamino]phenyl]-2-methylphenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

CN1C2=C(CNCC2)N=C1C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)Cl

DOS

IR

Vibrations