Geometry & MOs

Info

ID:	358908
PubChem CID:	127296799
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-81.21
Dipole, Da:	3.73
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpiperidin-2-yl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)N[C@@H](C)C3=CN=CC=C3

DOS

IR

Vibrations