Geometry & MOs

Info

ID:	188062
PubChem CID:	77662650
Reduced:	ClO4C25H27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-146.15
Dipole, Da:	6.08
IP(EA), eV:	-9.1(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[2-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclopentylidene]piperazine-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(=CC2=CC=C(C=C2)C=CC(=O)O)C(C(O1)(C)C)C3=CC(=C(C=C3)O)Cl)C

DOS

IR

Vibrations