Geometry & MOs

Info

ID:	382721
PubChem CID:	134974040
Reduced:	OC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	323.1674
ΔH_f, kcal/mol:	-52.64
Dipole, Da:	3.31
IP(EA), eV:	-9.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3Z)-4-(1,3-diphenylprop-2-ynyl)-3-ethylidene-2-prop-2-enylidene-1H-pyrrole

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2[C@@H]3C[C@@H]([C@H]2[C@H](C=CC1=O)O)[C@@H]4[C@H]3C=CC4

DOS

IR

Vibrations