Geometry & MOs

Info

ID:	137753
PubChem CID:	52257351
Reduced:	OCl2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	312.054466
ΔH_f, kcal/mol:	-3.04
Dipole, Da:	5.07
IP(EA), eV:	-9.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dichlorophenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NN=CN1C)NC(=O)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations