Geometry & MOs

Info

ID:	397799
PubChem CID:	135030743
Reduced:	BrNH24C33 (1)
Stoich.:	ABC24D33 (1)
Weight, g/mol:	469.159727
ΔH_f, kcal/mol:	150.84
Dipole, Da:	1.26
IP(EA), eV:	-8.1(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-benzhydrylidene-15-(4-chlorophenyl)-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C2C=CC3C2C(C4=C3NC5=CC=CC=C54)C6=CC=CC=C6Br)C7=CC=CC=C7

DOS

IR

Vibrations