Geometry & MOs

Info

ID:	182350
PubChem CID:	76878998
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-121.62
Dipole, Da:	4.54
IP(EA), eV:	-8.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetylphenoxy)-N-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-6-yl)butanamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)N2CCC(CC2)NC(=O)C=CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations