Geometry & MOs

Info

ID:	173674
PubChem CID:	75668005
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	410.219215
ΔH_f, kcal/mol:	-26.27
Dipole, Da:	14.34
IP(EA), eV:	-8.07(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazolidine-4-carbonyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-phenyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1C(C(NN1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3)CCC[N+]4=CNC=C4)[O-]

DOS

IR

Vibrations