Geometry & MOs

Info

ID:	336179
PubChem CID:	127255186
Reduced:	O3N5H17C24 (1)
Stoich.:	A3B5C17D24 (1)
Weight, g/mol:	397.16848
ΔH_f, kcal/mol:	-8.31
Dipole, Da:	4.35
IP(EA), eV:	-8.71(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=CC6=C(C=C5)N=CN6

DOS

IR

Vibrations