Geometry & MOs

Info

ID:	448659
PubChem CID:	135292576
Reduced:	O2N3C9H17 (1)
Stoich.:	A2B3C9D17 (1)
Weight, g/mol:	316.134241
ΔH_f, kcal/mol:	-85.56
Dipole, Da:	4.87
IP(EA), eV:	-9.4(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-4a,5-dimethyl-3-(2-methylcyclohexa-2,4-dien-1-yl)-5H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)N=CN

DOS

IR

Vibrations