Geometry & MOs

Info

ID:	26560
PubChem CID:	652768
Reduced:	SN2O4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	307.14331
ΔH_f, kcal/mol:	-118.07
Dipole, Da:	5.58
IP(EA), eV:	-8.4(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

DOS

IR

Vibrations