Geometry & MOs

Info

ID:	430914
PubChem CID:	135170984
Reduced:	FON5C24H26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	444.213696
ΔH_f, kcal/mol:	-1.73
Dipole, Da:	5.62
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(benzylamino)cyclohexyl]-N-ethyl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=C(C=C2)C#N)C(=O)C3=NC4=C(N3)C=C(C=C4)F

DOS

IR

Vibrations