Geometry & MOs

Info

ID:	74173
PubChem CID:	48421546
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	348.26376
ΔH_f, kcal/mol:	-99.02
Dipole, Da:	4.07
IP(EA), eV:	-8.36(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-4-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations