Geometry & MOs

Info

ID:	218196
PubChem CID:	85089017
Reduced:	O3C13H15 (2)
Stoich.:	A3B13C15 (2)
Weight, g/mol:	442.258006
ΔH_f, kcal/mol:	-192.82
Dipole, Da:	4.96
IP(EA), eV:	-9.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2(C(C(C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC=C)C

DOS

IR

Vibrations