Geometry & MOs

Info

ID:	314498
PubChem CID:	126621936
Reduced:	ClO3N6C20H23 (1)
Stoich.:	AB3C6D20E23 (1)
Weight, g/mol:	365.141579
ΔH_f, kcal/mol:	-31.94
Dipole, Da:	2.68
IP(EA), eV:	-9.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene

Drug info:

PubChemData

Smile

CCN1CCN(CC1=O)CC2=CC3=C(N=C2)OC4=C3N=C(N=C4N5CCOCC5)Cl

DOS

IR

Vibrations