Geometry & MOs

Info

ID:	198832
PubChem CID:	79159114
Reduced:	SN2O4C14H24 (1)
Stoich.:	AB2C4D14E24 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-150.56
Dipole, Da:	5.58
IP(EA), eV:	-8.88(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(aminomethyl)phenyl]ethyl]-4-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCCCS(=O)(=O)C)CNCCOC

DOS

IR

Vibrations