Geometry & MOs

Info

ID:	446667
PubChem CID:	135276792
Reduced:	OSN4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	320.156501
ΔH_f, kcal/mol:	173.13
Dipole, Da:	2.9
IP(EA), eV:	-5.76(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-naphthalen-1-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

Drug info:

PubChemData

Smile

C1C2CC3CC4(C3(C2)CC1C4)C5=CC=C(C=C5)NC(=O)CCCSC6=NC=NN6

DOS

IR

Vibrations