Geometry & MOs

Info

ID:	145591
PubChem CID:	53550331
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-124.96
Dipole, Da:	3.05
IP(EA), eV:	-9.35(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C

DOS

IR

Vibrations