Geometry & MOs

Info

ID:	169834
PubChem CID:	75155843
Reduced:	N4O6C31H38 (1)
Stoich.:	A4B6C31D38 (1)
Weight, g/mol:	536.20597
ΔH_f, kcal/mol:	-219.65
Dipole, Da:	5.02
IP(EA), eV:	-8.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-cyanophenyl)methyl]-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)CN1C2CC(CCC2C(=O)N(C1=O)C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations