Geometry & MOs

Info

ID:	414025
PubChem CID:	135086978
Reduced:	ON3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	72.78
Dipole, Da:	6.17
IP(EA), eV:	-9.8(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-methyl-N-prop-2-enylprop-2-ynamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/C=O)/N=[N+]=[N-]

DOS

IR

Vibrations