Geometry & MOs

Info

ID:	13278
PubChem CID:	224824
Reduced:	NC16H16 (2)
Stoich.:	AB16C16 (2)
Weight, g/mol:	444.256549
ΔH_f, kcal/mol:	90.36
Dipole, Da:	2.29
IP(EA), eV:	-8.41(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,4-tetrahydrophenanthren-9-yl)-N-[2-(1,2,3,4-tetrahydrophenanthren-9-ylmethylideneamino)ethyl]methanimine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C3=CC=CC=C23)C=NCCN=CC4=CC5=C(CCCC5)C6=CC=CC=C64

DOS

IR

Vibrations