Geometry & MOs

Info

ID:	206104
PubChem CID:	80203779
Reduced:	FN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	298.18567
ΔH_f, kcal/mol:	-37.23
Dipole, Da:	8.37
IP(EA), eV:	-9.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)NC2=CC(=C(C=C2)[N+](=O)[O-])C)F

DOS

IR

Vibrations