Geometry & MOs

Info

ID:	81633
PubChem CID:	49854945
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	384.05857
ΔH_f, kcal/mol:	-49.94
Dipole, Da:	4.43
IP(EA), eV:	-9.0(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3-bromo-1H-indol-5-yl)methylideneamino]-4-(dimethylamino)benzamide

Drug info:

PubChemData

Smile

COCC1=CC(=CC=C1)/C=N/NC(=O)C2=CC3=C(O2)C=CC(=C3)O

DOS

IR

Vibrations