Geometry & MOs

Info

ID:	419728
PubChem CID:	135108911
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	284.138559
ΔH_f, kcal/mol:	-32.59
Dipole, Da:	6.35
IP(EA), eV:	-9.54(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[3-(triazol-1-yl)propyl]indazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2)C(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations