Geometry & MOs

Info

ID:	253994
PubChem CID:	103122066
Reduced:	ON3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	275.105862
ΔH_f, kcal/mol:	74.93
Dipole, Da:	4.8
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethynylphenyl)-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NCC#C

DOS

IR

Vibrations