Geometry & MOs

Info

ID:	391959
PubChem CID:	135011388
Reduced:	N2C23H26 (1)
Stoich.:	A2B23C26 (1)
Weight, g/mol:	414.167853
ΔH_f, kcal/mol:	92.79
Dipole, Da:	1.84
IP(EA), eV:	-8.1(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-acetyl-4-(4-ethoxy-4-oxo-3-phenylbut-2-en-2-yl)cyclopent-3-ene-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CN(C)C1(CC1)CC2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C=C

DOS

IR

Vibrations