Geometry & MOs

Info

ID:	342326
PubChem CID:	127265107
Reduced:	FON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	246.149891
ΔH_f, kcal/mol:	-74.23
Dipole, Da:	3.49
IP(EA), eV:	-9.28(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one;hydrochloride

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)F)C(=O)N2CCCCC2CN

DOS

IR

Vibrations