Geometry & MOs

Info

ID:	199044
PubChem CID:	79190585
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	-14.24
Dipole, Da:	2.4
IP(EA), eV:	-9.62(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-4-methylpent-3-en-2-one

Drug info:

PubChemData

Smile

CC(=CC(=O)CC1=CC=CC=N1)C

DOS

IR

Vibrations