Geometry & MOs

Info

ID:	419018
PubChem CID:	135107354
Reduced:	NCl2O6H13C15 (1)
Stoich.:	AB2C6D13E15 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-211.53
Dipole, Da:	5.19
IP(EA), eV:	-9.59(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethoxyphenyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)Cl

DOS

IR

Vibrations