Geometry & MOs

Info

ID:	431277
PubChem CID:	135171348
Reduced:	O2N6H26C27 (1)
Stoich.:	A2B6C26D27 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	63.54
Dipole, Da:	7.99
IP(EA), eV:	-9.33(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-aminocyclohexyl]-6-cyano-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=C(C3=CC=CC=C3O2)C#N)C(=O)C4=NC5=C(N4)C=C(C=C5)C#N

DOS

IR

Vibrations