Geometry & MOs

Info

ID:	266778
PubChem CID:	103579385
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	-7.4
Dipole, Da:	3.47
IP(EA), eV:	-9.22(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-N-pent-1-yn-3-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CCC1=CC=CC=C1C

DOS

IR

Vibrations