Geometry & MOs

Info

ID:	393872
PubChem CID:	135021848
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	322.19328
ΔH_f, kcal/mol:	-105.77
Dipole, Da:	4.14
IP(EA), eV:	-9.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,4S,5R)-5-methyl-1-phenyl-3-(phenylmethoxymethyl)hepta-1,6-dien-4-ol

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(O1)C(C#C)OC(=O)C(C)(C)C

DOS

IR

Vibrations