Geometry & MOs

Info

ID:	162096
PubChem CID:	57393612
Reduced:	NOF2C24H27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	368.162374
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	2.64
IP(EA), eV:	-8.8(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-dimethoxyphenyl)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN1[C@@H]2CC[C@H]1CC(=CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C2

DOS

IR

Vibrations