Geometry & MOs

Info

ID:	159874
PubChem CID:	57288843
Reduced:	OC11H17 (2)
Stoich.:	AB11C17 (2)
Weight, g/mol:	493.197471
ΔH_f, kcal/mol:	-82.5
Dipole, Da:	3.46
IP(EA), eV:	-9.4(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-cyanoanilino)methyl]-3H-benzimidazol-5-yl] N-phenyl-N-[1-(2H-tetrazol-5-yl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@]12CCC[C@H]1[C@@H]3CC=C4CC(C(C[C@@]4([C@@H]3CC2)C)CCC=O)O

DOS

IR

Vibrations