Geometry & MOs

Info

ID:	160651
PubChem CID:	57389319
Reduced:	ClON4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	330.124739
ΔH_f, kcal/mol:	11.17
Dipole, Da:	4.96
IP(EA), eV:	-9.21(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chloroanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CNC(=O)C2=CN=C(N=C21)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations