Geometry & MOs

Info

ID:	69790
PubChem CID:	47205403
Reduced:	SN2O3C10H20 (1)
Stoich.:	AB2C3D10E20 (1)
Weight, g/mol:	241.121512
ΔH_f, kcal/mol:	-146.57
Dipole, Da:	5.57
IP(EA), eV:	-9.78(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CN1CCS(=O)(=O)CC1

DOS

IR

Vibrations