Geometry & MOs

Info

ID:	391390
PubChem CID:	135004693
Reduced:	BrN4O5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-107.17
Dipole, Da:	10.03
IP(EA), eV:	-9.53(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (5Z)-5-[di(propan-2-yl)hydrazinylidene]-2-(2-methylphenyl)-2H-furan-3,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N=C=C(C(C(=O)OC)N(C(=O)CC#N)/N=C/C1=CC(=CC=C1)Br)C(=O)OC

DOS

IR

Vibrations