Geometry & MOs

Info

ID:	316842
PubChem CID:	126631856
Reduced:	NH27C36 (1)
Stoich.:	AB27C36 (1)
Weight, g/mol:	447.162314
ΔH_f, kcal/mol:	219.94
Dipole, Da:	1.68
IP(EA), eV:	-8.09(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-dibenzofuran-3-yl-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C)C7=CC=CC=C7C8=CC=CC=C86)C

DOS

IR

Vibrations