Geometry & MOs

Info

ID:	26843
PubChem CID:	799526
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-18.09
Dipole, Da:	4.95
IP(EA), eV:	-8.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dimethylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC[C@@]1(N(C(C(=[N+]1[O-])C2=CC=C(C=C2)Cl)(C)C)O)C

DOS

IR

Vibrations