Geometry & MOs

Info

ID:	397802
PubChem CID:	135030747
Reduced:	BrNH26C34 (1)
Stoich.:	ABC26D34 (1)
Weight, g/mol:	527.12486
ΔH_f, kcal/mol:	164.51
Dipole, Da:	3.44
IP(EA), eV:	-8.25(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2C(C4C3C=CC4=C(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)Br

DOS

IR

Vibrations