Geometry & MOs

Info

ID:	29081
PubChem CID:	831474
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	315.077454
ΔH_f, kcal/mol:	-74.16
Dipole, Da:	3.76
IP(EA), eV:	-9.5(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)C2CCC2

DOS

IR

Vibrations