Geometry & MOs

Info

ID:	441992
PubChem CID:	135247509
Reduced:	NO2C23H25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	442.231951
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	3.36
IP(EA), eV:	-9.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]phenyl]-2-[3-(hydroxymethyl)but-3-enoxy]phenol

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC=C(C=C1)C2=C(C=CC3=CC=CC=C32)C(=O)OC)N

DOS

IR

Vibrations