Geometry & MOs

Info

ID:	392288
PubChem CID:	135014177
Reduced:	NO3C26H27 (1)
Stoich.:	AB3C26D27 (1)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	-27.84
Dipole, Da:	3.67
IP(EA), eV:	-9.19(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-hydroxy-1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pent-1-en-3-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H](N1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)COC

DOS

IR

Vibrations