Geometry & MOs

Info

ID:	427925
PubChem CID:	135165485
Reduced:	N2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	581.290309
ΔH_f, kcal/mol:	-0.71
Dipole, Da:	3.42
IP(EA), eV:	-9.72(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methanol

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=N1)CC)C(C)C

DOS

IR

Vibrations