Geometry & MOs

Info

ID:	17570
PubChem CID:	505156
Reduced:	Cl2O3N5H19C21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	459.086495
ΔH_f, kcal/mol:	-31.5
Dipole, Da:	3.74
IP(EA), eV:	-9.53(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dichlorophenyl)methyl-[3-oxo-3-(1H-1,2,4-triazol-5-yl)propanoyl]amino]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=NN3

DOS

IR

Vibrations