Geometry & MOs

Info

ID:	206166
PubChem CID:	80216849
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	280.195092
ΔH_f, kcal/mol:	-93.76
Dipole, Da:	1.4
IP(EA), eV:	-8.44(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)N(C)C(=O)CN2C=C(C=CC2=O)N)C

DOS

IR

Vibrations