Geometry & MOs

Info

ID:	145331
PubChem CID:	53501696
Reduced:	SN2O4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-76.93
Dipole, Da:	6.02
IP(EA), eV:	-9.19(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-cyclopropyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC1=NC(=NO1)C2=CC=CC=C2OC

DOS

IR

Vibrations