Geometry & MOs

Info

ID:	21637
PubChem CID:	589366
Reduced:	ON3H29C36 (1)
Stoich.:	AB3C29D36 (1)
Weight, g/mol:	519.231063
ΔH_f, kcal/mol:	156.11
Dipole, Da:	5.9
IP(EA), eV:	-8.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[4-(dimethylamino)phenyl]-1,4-diphenyl-2,3-diazabicyclo[3.2.0]hepta-3,6-dien-2-yl]-naphthalen-2-ylmethanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=CC3(C2C(=NN3C(=O)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations