Geometry & MOs

Info

ID:	335652
PubChem CID:	127254514
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	421.16848
ΔH_f, kcal/mol:	-135.36
Dipole, Da:	4.09
IP(EA), eV:	-8.96(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCOCC3=CC=CC=C3)C(=O)N)C4=CC=CC=C4O2

DOS

IR

Vibrations