Geometry & MOs

Info

ID:	255343
PubChem CID:	103131504
Reduced:	N3C8H11 (1)
Stoich.:	A3B8C11 (1)
Weight, g/mol:	149.095297
ΔH_f, kcal/mol:	90.7
Dipole, Da:	3.35
IP(EA), eV:	-8.97(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrazol-3-yl)but-3-yn-2-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C#CCCN

DOS

IR

Vibrations