Geometry & MOs

Info

ID:	266755
PubChem CID:	103579300
Reduced:	NSO3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	177.090212
ΔH_f, kcal/mol:	-107.35
Dipole, Da:	4.27
IP(EA), eV:	-10.4(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C(C)S(=O)(=O)C

DOS

IR

Vibrations