Geometry & MOs

Info

ID:	255342
PubChem CID:	103131503
Reduced:	N3C9H13 (1)
Stoich.:	A3B9C13 (1)
Weight, g/mol:	149.095297
ΔH_f, kcal/mol:	79.13
Dipole, Da:	2.84
IP(EA), eV:	-8.82(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC#CC1=NN(C=C1)C

DOS

IR

Vibrations