Geometry & MOs

Info

ID:	413722
PubChem CID:	135086672
Reduced:	O7C22H22 (1)
Stoich.:	A7B22C22 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-260.72
Dipole, Da:	3.01
IP(EA), eV:	-10.12(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethoxyphenyl)pent-4-en-1-ol

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC(=O)C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations