Geometry & MOs

Info

ID:	266685
PubChem CID:	103579094
Reduced:	NSO3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	-102.32
Dipole, Da:	7.62
IP(EA), eV:	-10.34(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-N-pent-1-yn-3-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1CCS(=O)(=O)C1

DOS

IR

Vibrations