Geometry & MOs

Info

ID:	137110
PubChem CID:	52152828
Reduced:	N2O5C23H32 (1)
Stoich.:	A2B5C23D32 (1)
Weight, g/mol:	416.231122
ΔH_f, kcal/mol:	-166.39
Dipole, Da:	19.46
IP(EA), eV:	-7.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2,3-dimethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C(=O)N([C@@H]1C2=C(C(=CC=C2)OC)OC)CC[NH+]3CCCCC3)[O-]

DOS

IR

Vibrations