Geometry & MOs

Info

ID:	393005
PubChem CID:	135018875
Reduced:	NO2C24H27 (1)
Stoich.:	AB2C24D27 (1)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-31.97
Dipole, Da:	2.57
IP(EA), eV:	-7.66(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-2-methylidenebutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(C2=C(C=C(C=C2)OC)C)C3=C(C=C(C=C3)OC)C

DOS

IR

Vibrations