Geometry & MOs

Info

ID:	169771
PubChem CID:	75145410
Reduced:	FN4O5C27H29 (1)
Stoich.:	AB4C5D27E29 (1)
Weight, g/mol:	495.265255
ΔH_f, kcal/mol:	-177.1
Dipole, Da:	4.38
IP(EA), eV:	-8.6(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N-[1-(7-chloro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)OC(=O)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations