Geometry & MOs

Info

ID:	254001
PubChem CID:	103122090
Reduced:	ON4C12H12 (1)
Stoich.:	AB4C12D12 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	77.56
Dipole, Da:	3.75
IP(EA), eV:	-9.55(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hex-5-yn-3-yl-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC#C)C(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations