Geometry & MOs

Info

ID:	253339
PubChem CID:	103117821
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	51.12
Dipole, Da:	5.92
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-1-methyl-N-propan-2-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C#N)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations