Geometry & MOs

Info

ID:	386042
PubChem CID:	134980601
Reduced:	H16C21 (2)
Stoich.:	A16B21 (2)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	184.25
Dipole, Da:	0.11
IP(EA), eV:	-9.18(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4,5-di(cyclohexylidene)cyclohept-2-ene-1,1-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(C=CC2(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations