Geometry & MOs

Info

ID:	151838
PubChem CID:	56310655
Reduced:	FO2N3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	391.1959
ΔH_f, kcal/mol:	-81.53
Dipole, Da:	3.23
IP(EA), eV:	-8.84(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(difluoromethoxy)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations