Geometry & MOs

Info

ID:	359470
PubChem CID:	127298744
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-103.68
Dipole, Da:	1.16
IP(EA), eV:	-9.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(1H-pyrazol-5-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)N(CC3CCOC3)C4CC4

DOS

IR

Vibrations