Geometry & MOs

Info

ID:	199042
PubChem CID:	79190583
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-21.48
Dipole, Da:	3.4
IP(EA), eV:	-9.23(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCN1C=NC=C1C(C(=C)C)O

DOS

IR

Vibrations