Geometry & MOs

Info

ID:	423877
PubChem CID:	135120593
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	338.070116
ΔH_f, kcal/mol:	-83.27
Dipole, Da:	4.92
IP(EA), eV:	-9.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC=CNC3=O

DOS

IR

Vibrations