Geometry & MOs

Info

ID:	354646
PubChem CID:	127287263
Reduced:	O2N4C21H38 (1)
Stoich.:	A2B4C21D38 (1)
Weight, g/mol:	379.213888
ΔH_f, kcal/mol:	-130.45
Dipole, Da:	6.58
IP(EA), eV:	-8.7(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloropyridin-2-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C1)CNC(=O)N2CCN(CC2)C(=O)C3CCCCC3

DOS

IR

Vibrations