Geometry & MOs

Info

ID:	269302
PubChem CID:	103616900
Reduced:	O3N4H10C12 (1)
Stoich.:	A3B4C10D12 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-28.03
Dipole, Da:	6.21
IP(EA), eV:	-9.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[(E)-but-2-enyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N

DOS

IR

Vibrations