Geometry & MOs

Info

ID:	430786
PubChem CID:	135170853
Reduced:	NC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	560.26104
ΔH_f, kcal/mol:	3.21
Dipole, Da:	2.65
IP(EA), eV:	-8.45(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-[3-[ethyl-[6-(trifluoromethoxy)-1H-benzimidazole-2-carbonyl]amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CCN[C@H]1CCC[C@H](C1)N(C)CC2=CC=CC=C2

DOS

IR

Vibrations