Geometry & MOs

Info

ID:	160652
PubChem CID:	57389321
Reduced:	ClON4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	344.140389
ΔH_f, kcal/mol:	-4.83
Dipole, Da:	4.13
IP(EA), eV:	-8.79(-0.74)
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]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC2=NC(=NC=C2C1)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations