Geometry & MOs

Info

ID:	43577
PubChem CID:	10321490
Reduced:	SO3N5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	42.77
Dipole, Da:	6.35
IP(EA), eV:	-8.73(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-6-methyl-4-pyrrolidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])C(=O)N4CCN(CC4)C

DOS

IR

Vibrations