Geometry & MOs

Info

ID:	312698
PubChem CID:	126607451
Reduced:	ClON4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-21.68
Dipole, Da:	5.7
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butylamino)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)CC1=CC=CC2=C1CC(C2)NC3=NC=C4CN(CCC4=N3)C(=O)CCl

DOS

IR

Vibrations