Geometry & MOs

Info

ID:	431290
PubChem CID:	135171361
Reduced:	NC2H3 (3)
Stoich.:	AB2C3 (3)
Weight, g/mol:	471.238273
ΔH_f, kcal/mol:	59.45
Dipole, Da:	3.14
IP(EA), eV:	-8.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-azido-N-ethyl-N-[(1S,3R)-3-[(3-prop-2-ynoxyphenyl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

C1NC2C=CC=CN2N1

DOS

IR

Vibrations