Geometry & MOs

Info

ID:	401981
PubChem CID:	135053689
Reduced:	ClNO3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	399.147058
ΔH_f, kcal/mol:	-163.33
Dipole, Da:	2.63
IP(EA), eV:	-9.86(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-acetyloxy-1-benzylindole-6-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC(C)(CCl)C1=N[C@@H](CO1)C(C)(C)C

DOS

IR

Vibrations