Geometry & MOs

Info

ID:	347119
PubChem CID:	127271623
Reduced:	N2O2C13H22 (1)
Stoich.:	A2B2C13D22 (1)
Weight, g/mol:	334.154209
ΔH_f, kcal/mol:	-111.08
Dipole, Da:	3.63
IP(EA), eV:	-9.1(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-1H-indazol-7-yl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1C(=O)N2CCCCCC2

DOS

IR

Vibrations