Geometry & MOs

Info

ID:	448164
PubChem CID:	135288911
Reduced:	O2N5H25C29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	339.155847
ΔH_f, kcal/mol:	107.39
Dipole, Da:	4.89
IP(EA), eV:	-8.42(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=COC=C7

DOS

IR

Vibrations