Geometry & MOs

Info

ID:	397620
PubChem CID:	135030478
Reduced:	NH27C34 (1)
Stoich.:	AB27C34 (1)
Weight, g/mol:	483.175378
ΔH_f, kcal/mol:	163.24
Dipole, Da:	2.03
IP(EA), eV:	-8.04(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-benzhydrylidene-15-(4-chlorophenyl)-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)C3=C(N2)C4C=CC(=C(C5=CC=CC=C5)C6=CC=CC=C6)C4C3C7=CC=CC=C7

DOS

IR

Vibrations