Geometry & MOs

Info

ID:	26704
PubChem CID:	794680
Reduced:	N2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	337.106256
ΔH_f, kcal/mol:	-12.53
Dipole, Da:	3.81
IP(EA), eV:	-9.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)N

DOS

IR

Vibrations