Geometry & MOs

Info

ID:	173284
PubChem CID:	75617770
Reduced:	N2O2C9H13 (2)
Stoich.:	A2B2C9D13 (2)
Weight, g/mol:	389.069782
ΔH_f, kcal/mol:	-148.33
Dipole, Da:	6.44
IP(EA), eV:	-8.95(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(7-chloro-4-oxo-4aH-quinazolin-2-yl)methyl]-N-propylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N(C)CC(=O)C2C(N(C(=O)NC2=O)CCOC)N

DOS

IR

Vibrations