Geometry & MOs

Info

ID:	412524
PubChem CID:	135085419
Reduced:	NH16C18 (2)
Stoich.:	AB16C18 (2)
Weight, g/mol:	590.154999
ΔH_f, kcal/mol:	140.03
Dipole, Da:	2.22
IP(EA), eV:	-8.33(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)[N+]2=[C-]N([C@H]([C@@H]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5C6=CC=CC=C6)C

DOS

IR

Vibrations