Geometry & MOs

Info

ID:	175563
PubChem CID:	75921689
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	352.110919
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	7.7
IP(EA), eV:	-9.53(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[1-chloro-2-(3,5-dimethylphenyl)ethenyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C(=CC1=CC(=CC(=C1)C)C)C#N

DOS

IR

Vibrations