Geometry & MOs

Info

ID:	431032
PubChem CID:	135171102
Reduced:	NC4H9 (2)
Stoich.:	AB4C9 (2)
Weight, g/mol:	471.238273
ΔH_f, kcal/mol:	-23.51
Dipole, Da:	3.23
IP(EA), eV:	-8.78(3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-azido-N-ethyl-N-[(1S,3R)-3-[(3-prop-2-ynoxyphenyl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN[C@H]1CCCC(C1)N

DOS

IR

Vibrations