Geometry & MOs

Info

ID:	253705
PubChem CID:	103120110
Reduced:	SO2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-4.08
Dipole, Da:	5.76
IP(EA), eV:	-9.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=C(N=NN2CCSC)C(=O)OC

DOS

IR

Vibrations