Geometry & MOs

Info

ID:	167565
PubChem CID:	74845628
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-78.52
Dipole, Da:	7.77
IP(EA), eV:	-9.73(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-6-propanoyl-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2NC3CCN(CC3C(=O)N2)C(=O)CCl

DOS

IR

Vibrations