Geometry & MOs

Info

ID:	191491
PubChem CID:	78153946
Reduced:	ON8C13H20 (1)
Stoich.:	AB8C13D20 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	46.93
Dipole, Da:	9.42
IP(EA), eV:	-9.22(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)C2CC(NN2)C(=O)NC3=NC=NN3)C

DOS

IR

Vibrations