Geometry & MOs

Info

ID:	320520
PubChem CID:	126661572
Reduced:	N5H15C17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	454.1358
ΔH_f, kcal/mol:	120.11
Dipole, Da:	1.8
IP(EA), eV:	-8.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-aminopiperidin-1-yl)phenyl]-2-[2-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-3-yl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1NC2=CC=CC=C2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations