Geometry & MOs

Info

ID:	30108
PubChem CID:	839985
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	320.127326
ΔH_f, kcal/mol:	-52.62
Dipole, Da:	3.67
IP(EA), eV:	-8.86(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(1,3,5-trimethylpyrazol-4-yl)benzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations