Geometry & MOs

Info

ID:	312362
PubChem CID:	126604448
Reduced:	NH18C23 (2)
Stoich.:	AB18C23 (2)
Weight, g/mol:	369.10921
ΔH_f, kcal/mol:	348.29
Dipole, Da:	2.87
IP(EA), eV:	-8.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N-(4-methylphenyl)bicyclo[4.2.0]octa-1,3-dien-3-amine

Drug info:

PubChemData

Smile

C/C=C(\C1=CC=CC=C1C(=C)/C/2=C/C=C\3/C=CC4=C(C3=NCC2)N=CC=C4)/C5=C6C=CC=CC6=C(C7C5=CC=CC7C)C8=CC#CC=C8

DOS

IR

Vibrations