Geometry & MOs

Info

ID:	131368
PubChem CID:	51197558
Reduced:	ClO3N5H14C17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	48.47
Dipole, Da:	3.84
IP(EA), eV:	-9.49(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-oxo-2-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2C=NC=N2)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations