Geometry & MOs

Info

ID:	175229
PubChem CID:	75871058
Reduced:	SN2O4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-60.74
Dipole, Da:	3.81
IP(EA), eV:	-9.29(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylethyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(CN3C(=O)OC(=N3)C4=CC=CS4)O

DOS

IR

Vibrations