Geometry & MOs

Info

ID:	396349
PubChem CID:	135028137
Reduced:	OH11C12 (2)
Stoich.:	AB11C12 (2)
Weight, g/mol:	504.231397
ΔH_f, kcal/mol:	-31.65
Dipole, Da:	2.27
IP(EA), eV:	-9.23(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-naphthalen-2-yl-2,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-3-yl)phenyl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2=CC=CC=C2C(=O)C)C)C3=CC=CC=C3C(=O)C

DOS

IR

Vibrations