Geometry & MOs

Info

ID:	377940
PubChem CID:	134224007
Reduced:	O2N3H25C36 (1)
Stoich.:	A2B3C25D36 (1)
Weight, g/mol:	361.027249
ΔH_f, kcal/mol:	100.58
Dipole, Da:	5.88
IP(EA), eV:	-8.4(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-chloro-3-(4-chlorobenzoyl)-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)C4=CC=C(C=C4)C5=NC(=CC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)/N2

DOS

IR

Vibrations