Geometry & MOs

Info

ID:	196523
PubChem CID:	78842197
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	354.091725
ΔH_f, kcal/mol:	-97.55
Dipole, Da:	1.84
IP(EA), eV:	-9.38(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyethyl)acetamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)OCCCC1=CC=CC=C1

DOS

IR

Vibrations