Geometry & MOs

Info

ID:	309401
PubChem CID:	126546009
Reduced:	O4N7H29C30 (1)
Stoich.:	A4B7C29D30 (1)
Weight, g/mol:	513.24565
ΔH_f, kcal/mol:	-57.47
Dipole, Da:	3.72
IP(EA), eV:	-9.15(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(Z)-but-2-enylidene]-2-methyl-5,7-dinaphthalen-2-yl-1-phenyl-2H-indole

Drug info:

PubChemData

Smile

C1CN(CCC12C3=C(C=NC=C3)N(C2=O)CC4=C(C5=CC=CC=C5C=N4)C6=CN=C(C=C6)C(=O)N)C(=O)[C@H](CO)N

DOS

IR

Vibrations