Geometry & MOs

Info

ID:	55920
PubChem CID:	17397436
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-109.74
Dipole, Da:	3.74
IP(EA), eV:	-8.71(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)C(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

DOS

IR

Vibrations