Geometry & MOs

Info

ID:	430874
PubChem CID:	135170941
Reduced:	FON4C23H35 (1)
Stoich.:	ABC4D23E35 (1)
Weight, g/mol:	394.21689
ΔH_f, kcal/mol:	-65.53
Dipole, Da:	3.93
IP(EA), eV:	-8.55(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(benzylamino)cyclohexyl]-N-ethyl-4-fluoro-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C(=O)C1=NC(=C(N1)C)/C=C(\C)/F)C2(CCCC(C2)NCC(=C)/C=C\C)C

DOS

IR

Vibrations