Geometry & MOs

Info

ID:	449413
PubChem CID:	135298393
Reduced:	NOH21C38 (1)
Stoich.:	ABC21D38 (1)
Weight, g/mol:	395.03096
ΔH_f, kcal/mol:	162.78
Dipole, Da:	1.87
IP(EA), eV:	-8.29(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-15-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2N4C5=CC=CC=C5C6=C4C3=CC(=C6)C7=CC=CC8=C7C=CC9=C8C1=CC=CC=C1O9

DOS

IR

Vibrations