Geometry & MOs

Info

ID:	80066
PubChem CID:	49832645
Reduced:	OF3N5H24C25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	375.117883
ΔH_f, kcal/mol:	-88.08
Dipole, Da:	6.11
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(3-azidopropoxy)-5-methoxy-2-nitrophenyl]ethyl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CN(CC1=CN=CN1CC2=CC=C(C=C2)C#N)[C@H]3CCN(C3=O)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations