Geometry & MOs

Info

ID:	85691
PubChem CID:	49878261
Reduced:	BrNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	368.125133
ΔH_f, kcal/mol:	-80.15
Dipole, Da:	7.96
IP(EA), eV:	-8.66(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-[4-(3-chloro-4-methylanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxyethyl)oxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N/C=C/2\C=C(C(=C(C2=O)Br)C)C

DOS

IR

Vibrations