Geometry & MOs

Info

ID:	413594
PubChem CID:	135086543
Reduced:	ClOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-48.72
Dipole, Da:	1.56
IP(EA), eV:	-9.55(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCCCC(=O)/C=C(/C)\C1=CC=CC=C1Cl

DOS

IR

Vibrations