Geometry & MOs

Info

ID:	406395
PubChem CID:	135077463
Reduced:	O5H18C19 (1)
Stoich.:	A5B18C19 (1)
Weight, g/mol:	412.111795
ΔH_f, kcal/mol:	-176.38
Dipole, Da:	4.3
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 5-O-methyl (4E)-4-[(2,3-dimethoxy-6-nitrophenyl)methylidene]-2-nitropentanedioate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C1C2=CC=CC=C2OC3=CC=CC=C13)C(=O)O

DOS

IR

Vibrations