Geometry & MOs

Info

ID:	445393
PubChem CID:	135266773
Reduced:	NC17H37 (1)
Stoich.:	AB17C37 (1)
Weight, g/mol:	473.20386
ΔH_f, kcal/mol:	-84.77
Dipole, Da:	2.33
IP(EA), eV:	-9.15(3.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(6-cyanobenzimidazol-1-yl)methyl]-1,3-dimethylcyclohexyl]methyl-[3-(trifluoromethyl)-1H-pyrrol-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCC(C)(C)CC(C)CCC(CN)C(C)(C)C

DOS

IR

Vibrations