Geometry & MOs

Info

ID:	21642
PubChem CID:	589387
Reduced:	ON3H25C28 (1)
Stoich.:	AB3C25D28 (1)
Weight, g/mol:	419.199762
ΔH_f, kcal/mol:	181.01
Dipole, Da:	6.31
IP(EA), eV:	-8.17(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[4-(dimethylamino)phenyl]-1,4-diphenyl-2,3-diazabicyclo[3.2.0]hepta-3,6-dien-2-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=CC3(C2C(=NN3C(=O)C=C)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations