Geometry & MOs

Info

ID:	137112
PubChem CID:	52152964
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-117.74
Dipole, Da:	16.45
IP(EA), eV:	-8.23(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CC[NH+]3CCCC3)[O-])C(=O)C4=CC=CO4

DOS

IR

Vibrations