Geometry & MOs

Info

ID:

433638

PubChem CID:

135173778

Reduced:

ClO2N8C34H37 (1)

Stoich.:

AB2C8D34E37 (1)

Weight, g/mol:

595.342344

ΔHf, kcal/mol:

29.9

Dipole, Da:

1.43

IP(EA), eV:

 -8.22(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[[5-ethenyl-3-[(Z)-prop-1-enyl]pyridin-2-yl]methylamino]-2-methylphenyl]-2-methylphenyl]-3-[1-(methylamino)pyrrolidin-2-yl]-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CNC(C)CO)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)C)Cl

DOS

IR

Vibrations