Geometry & MOs

Info

ID:	386695
PubChem CID:	134982568
Reduced:	ClNH18C22 (1)
Stoich.:	ABC18D22 (1)
Weight, g/mol:	302.151809
ΔH_f, kcal/mol:	59.68
Dipole, Da:	3.59
IP(EA), eV:	-8.38(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-(2,3-dipropylcycloprop-2-en-1-ylidene)cyclopenta-1,3-diene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H](C3=CC=CC=C31)C4=C(C=CC(=C4)Cl)N[C@H]2C5=CC=CC=C5

DOS

IR

Vibrations