Geometry & MOs

Info

ID:	225102
PubChem CID:	85741754
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-64.08
Dipole, Da:	3.19
IP(EA), eV:	-9.17(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-3,5-dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C=CC1=CC=C(C=C1)O

DOS

IR

Vibrations