Geometry & MOs

Info

ID:	390566
PubChem CID:	134999738
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	346.178024
ΔH_f, kcal/mol:	-59.17
Dipole, Da:	2.14
IP(EA), eV:	-8.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (3E)-3-[(4-methoxyphenyl)methylidene]-4-methylcyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C2CC(N3N2C(C1(C)C)C(=C3C(=O)OC)C(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations