Geometry & MOs

Info

ID:	31361
PubChem CID:	855621
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-85.71
Dipole, Da:	5.51
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CO3)C(=O)CC

DOS

IR

Vibrations