Geometry & MOs

Info

ID:	187266
PubChem CID:	77552841
Reduced:	NOC8H15 (2)
Stoich.:	ABC8D15 (2)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-129.27
Dipole, Da:	5.47
IP(EA), eV:	-9.18(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,7-trimethoxy-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C(=O)O)NCC2CCC(CC2)CN

DOS

IR

Vibrations