Geometry & MOs

Info

ID:	347905
PubChem CID:	127272967
Reduced:	O2N7C20H21 (1)
Stoich.:	A2B7C20D21 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	31.76
Dipole, Da:	3.03
IP(EA), eV:	-8.56(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-yl-3H-benzimidazol-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)NC3=CC4=C(C=C3)N=C(N4)N5CCOCC5)C

DOS

IR

Vibrations