Geometry & MOs

Info

ID:	73754
PubChem CID:	48420318
Reduced:	N2O2C7H8 (2)
Stoich.:	A2B2C7D8 (2)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-105.96
Dipole, Da:	7.91
IP(EA), eV:	-9.62(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=C(C=C1)C(=O)OCCN2C=NC=N2

DOS

IR

Vibrations