Geometry & MOs

Info

ID:	131422
PubChem CID:	51203145
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-17.75
Dipole, Da:	3.82
IP(EA), eV:	-9.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylphenoxy)ethyl]-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2S1)N(C)CC3=CC(=CC=C3)C(=O)OC

DOS

IR

Vibrations