Geometry & MOs

Info

ID:	171409
PubChem CID:	75373818
Reduced:	ON6C18H28 (1)
Stoich.:	AB6C18D28 (1)
Weight, g/mol:	325.96646
ΔH_f, kcal/mol:	59.41
Dipole, Da:	4.14
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-5-iodo-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCCN2CCC(C2)N(C)CC3=NN=C(O3)C4CC4

DOS

IR

Vibrations