Geometry & MOs

Info

ID:	126582
PubChem CID:	50968763
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	343.262363
ΔH_f, kcal/mol:	-13.32
Dipole, Da:	2.86
IP(EA), eV:	-8.28(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(CCN1C=CC2=CC=CC=C21)CC3=C(C=CC=N3)C(=O)O

DOS

IR

Vibrations