Geometry & MOs

Info

ID:	180336
PubChem CID:	76617132
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-148.83
Dipole, Da:	4.0
IP(EA), eV:	-8.44(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylphenyl)-N-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)OCC(O3)CO

DOS

IR

Vibrations