Geometry & MOs

Info

ID:	395856
PubChem CID:	135026732
Reduced:	N2O6C19H24 (1)
Stoich.:	A2B6C19D24 (1)
Weight, g/mol:	468.226037
ΔH_f, kcal/mol:	-231.28
Dipole, Da:	1.63
IP(EA), eV:	-9.82(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[1-(3a,7a-dihydro-1H-indol-3-yl)-1-(phenylmethoxycarbonylamino)propan-2-yl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C)C(C#N)NC(=O)OCC1=CC=CC=C1)C(=O)OCC

DOS

IR

Vibrations