Geometry & MOs

Info

ID:	163751
PubChem CID:	74374116
Reduced:	OSN6C18H26 (1)
Stoich.:	ABC6D18E26 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	27.46
Dipole, Da:	2.96
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethoxy-2-(6-methylpyridin-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCCC1C2C(C(=O)NC(N2)N(C)CC3=CC4=C(S3)N=CC=C4)N(N1)C

DOS

IR

Vibrations