Geometry & MOs

Info

ID:	362666
PubChem CID:	127309055
Reduced:	O2S2N3C17H23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	360.198383
ΔH_f, kcal/mol:	-41.65
Dipole, Da:	1.35
IP(EA), eV:	-9.17(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpyrazol-1-yl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=CS1)NC(=O)N2CCOC(C2)C3=NC=CS3

DOS

IR

Vibrations