Geometry & MOs

Info

ID:	314474
PubChem CID:	126621882
Reduced:	ClON2H13C24 (1)
Stoich.:	ABC2D13E24 (1)
Weight, g/mol:	421.18305
ΔH_f, kcal/mol:	99.93
Dipole, Da:	4.62
IP(EA), eV:	-8.96(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-7-(1-methylnaphthalen-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=C2OC4=C3C5=CC=CC=C5C6=CC=CC=C64)Cl

DOS

IR

Vibrations