Geometry & MOs

Info

ID:	187257
PubChem CID:	77551198
Reduced:	ON4H20C22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	532.222369
ΔH_f, kcal/mol:	95.08
Dipole, Da:	2.86
IP(EA), eV:	-8.89(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC3=NC(=NC(C3=N2)CC4=CC=CC=C4)N)C=C(C1=O)C

DOS

IR

Vibrations