Geometry & MOs

Info

ID:	34229
PubChem CID:	7890405
Reduced:	N3O4C15H15 (1)
Stoich.:	A3B4C15D15 (1)
Weight, g/mol:	389.081871
ΔH_f, kcal/mol:	-51.56
Dipole, Da:	5.13
IP(EA), eV:	-9.59(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations