Geometry & MOs

Info

ID:	253993
PubChem CID:	103122053
Reduced:	O3N4H6C10 (1)
Stoich.:	A3B4C6D10 (1)
Weight, g/mol:	213.090212
ΔH_f, kcal/mol:	19.77
Dipole, Da:	6.07
IP(EA), eV:	-9.56(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-prop-2-ynylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=NC(=NO3)C(=O)O

DOS

IR

Vibrations