Geometry & MOs

Info

ID:	194499
PubChem CID:	78546523
Reduced:	NO3C27H29 (1)
Stoich.:	AB3C27D29 (1)
Weight, g/mol:	385.167794
ΔH_f, kcal/mol:	-84.2
Dipole, Da:	3.39
IP(EA), eV:	-9.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-benzylbenzoate

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2CC3=CC=CC=C3

DOS

IR

Vibrations