Geometry & MOs

Info

ID:	146639
PubChem CID:	53721671
Reduced:	O3Cl4H16C22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	276.098742
ΔH_f, kcal/mol:	-53.02
Dipole, Da:	3.3
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-diethoxyphosphoryl-N-(1H-1,2,4-triazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)COC3=C(C=C(C=C3Cl)OCC=C(Cl)Cl)Cl

DOS

IR

Vibrations