Geometry & MOs

Info

ID:	183087
PubChem CID:	76977201
Reduced:	N3O3C14H25 (1)
Stoich.:	A3B3C14D25 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-116.35
Dipole, Da:	4.44
IP(EA), eV:	-9.08(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-6-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C(=NO)N)NC(=O)C2CCOCC2

DOS

IR

Vibrations