Geometry & MOs

Info

ID:	378007
PubChem CID:	134224075
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	528.98471
ΔH_f, kcal/mol:	79.94
Dipole, Da:	7.63
IP(EA), eV:	-8.28(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-bromo-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylate

Drug info:

PubChemData

Smile

CN(CCO)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=C3C=CC(=O)C=C3

DOS

IR

Vibrations