Geometry & MOs

Info

ID:	51315
PubChem CID:	12013961
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	540.206245
ΔH_f, kcal/mol:	-68.71
Dipole, Da:	4.05
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2,3-bis(dipyridin-3-ylmethylidene)cyclopropylidene]-pyridin-3-ylmethyl]pyridine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC=C(C2=O)[C@@H]3C[C@H](ON3C4=CC=CC=C4)C(=O)C

DOS

IR

Vibrations