Geometry & MOs

Info

ID:	266692
PubChem CID:	103579107
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	31.6
Dipole, Da:	5.33
IP(EA), eV:	-8.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-pent-1-yn-3-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C2C=CNC2=CC=C1

DOS

IR

Vibrations