Geometry & MOs

Info

ID:	134354
PubChem CID:	51684940
Reduced:	N4O5C23H30 (1)
Stoich.:	A4B5C23D30 (1)
Weight, g/mol:	422.185996
ΔH_f, kcal/mol:	-125.49
Dipole, Da:	1.38
IP(EA), eV:	-9.51(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-chloro-2-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)NC1CCCC1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C2=O)C(=O)NC5=NOC(=C5)C

DOS

IR

Vibrations