Geometry & MOs

Info

ID:	85690
PubChem CID:	49878257
Reduced:	Br2N3O4H17C18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	375.04701
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	6.49
IP(EA), eV:	-8.72(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(E)-(5-bromo-3,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate

Drug info:

PubChemData

Smile

CC\1=C(C(=C(C(=O)/C1=C\NNC(=O)CNC(=O)C2=CC=CC=C2Br)C)O)Br

DOS

IR

Vibrations