Geometry & MOs

Info

ID:	127031
PubChem CID:	50988091
Reduced:	ClSN4C7H15 (1)
Stoich.:	ABC4D7E15 (1)
Weight, g/mol:	251.059217
ΔH_f, kcal/mol:	-9.64
Dipole, Da:	6.31
IP(EA), eV:	-8.73(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)N1C(=NNC1=S)CCN.Cl

DOS

IR

Vibrations