Geometry & MOs

Info

ID:	397801
PubChem CID:	135030746
Reduced:	NOH27C34 (1)
Stoich.:	ABC27D34 (1)
Weight, g/mol:	527.12486
ΔH_f, kcal/mol:	132.53
Dipole, Da:	0.64
IP(EA), eV:	-8.14(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-benzhydrylidene-15-(4-bromophenyl)-4-methyl-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11-pentaene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3C(C=CC3=C(C4=CC=CC=C4)C5=CC=CC=C5)C6=C2C7=CC=CC=C7N6

DOS

IR

Vibrations