Geometry & MOs

Info

ID:	253996
PubChem CID:	103122075
Reduced:	SO3N5H11C12 (1)
Stoich.:	AB3C5D11E12 (1)
Weight, g/mol:	267.137162
ΔH_f, kcal/mol:	3.03
Dipole, Da:	6.21
IP(EA), eV:	-9.41(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=NC(=CS2)CN3C(=C(N=N3)C(=O)O)CN

DOS

IR

Vibrations