Geometry & MOs

Info

ID:	36820
PubChem CID:	8013313
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-196.16
Dipole, Da:	5.44
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations