Geometry & MOs

Info

ID:	24705
PubChem CID:	612370
Reduced:	BrN4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	456.04332
ΔH_f, kcal/mol:	32.15
Dipole, Da:	5.92
IP(EA), eV:	-8.94(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-methylphenoxy)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=O)NN=CC2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])Br

DOS

IR

Vibrations