Geometry & MOs

Info

ID:	371195
PubChem CID:	127344225
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	361.284161
ΔH_f, kcal/mol:	-48.81
Dipole, Da:	3.99
IP(EA), eV:	-8.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethylpyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)CNC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations