Geometry & MOs

Info

ID:	137109
PubChem CID:	52152827
Reduced:	N2O5C23H32 (1)
Stoich.:	A2B5C23D32 (1)
Weight, g/mol:	416.231122
ΔH_f, kcal/mol:	-174.62
Dipole, Da:	1.19
IP(EA), eV:	-8.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2,3-dimethoxyphenyl)-3-(2-methylpropanoyl)-5-oxo-1-(2-piperidin-1-ium-1-ylethyl)-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C(=O)N([C@H]1C2=CC(=C(C=C2)OC)OC)CCN3CCCCC3)O

DOS

IR

Vibrations