Geometry & MOs

Info

ID:	427890
PubChem CID:	135164976
Reduced:	OC10H14 (1)
Stoich.:	AB10C14 (1)
Weight, g/mol:	634.353243
ΔH_f, kcal/mol:	-31.66
Dipole, Da:	1.95
IP(EA), eV:	-9.11(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCOC2C1C=CC=C2

DOS

IR

Vibrations