Geometry & MOs

Info

ID:	170231
PubChem CID:	75209670
Reduced:	O3N4H26C27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	440.253589
ΔH_f, kcal/mol:	-4.24
Dipole, Da:	13.96
IP(EA), eV:	-8.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)NC4CC4

DOS

IR

Vibrations