Geometry & MOs

Info

ID:	302517
PubChem CID:	124365637
Reduced:	FN2O2C21H31 (1)
Stoich.:	AB2C2D21E31 (1)
Weight, g/mol:	362.236956
ΔH_f, kcal/mol:	-148.11
Dipole, Da:	1.96
IP(EA), eV:	-8.97(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-ethylpiperidin-1-yl]-1-[(4S)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1CC(=O)N2CCC[C@](CC2)(C3=CC=C(C=C3)F)O

DOS

IR

Vibrations