Geometry & MOs

Info

ID:	193193
PubChem CID:	78355018
Reduced:	NO5C28H31 (1)
Stoich.:	AB5C28D31 (1)
Weight, g/mol:	428.315127
ΔH_f, kcal/mol:	-146.51
Dipole, Da:	4.72
IP(EA), eV:	-8.24(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2CC4=CC=CC=C4)OC5CCC(CC5C3=O)C)OC

DOS

IR

Vibrations