Geometry & MOs

Info

ID:	221197
PubChem CID:	85257219
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-153.97
Dipole, Da:	0.9
IP(EA), eV:	-8.91(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8-methoxy-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)benzoic acid

Drug info:

PubChemData

Smile

CCCCC(=O)ON=CC1=C(C=C(C=C1OC)OC)OC

DOS

IR

Vibrations