Geometry & MOs

Info

ID:	197006
PubChem CID:	78908626
Reduced:	ON2Cl3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	15.47
Dipole, Da:	5.16
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-2-(prop-2-ynylamino)acetamide

Drug info:

PubChemData

Smile

C#CCNCC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl

DOS

IR

Vibrations