Geometry & MOs

Info

ID:	137098
PubChem CID:	52151457
Reduced:	NO3C14H17 (2)
Stoich.:	AB3C14D17 (2)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-161.9
Dipole, Da:	17.7
IP(EA), eV:	-7.97(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-acetyl-5-oxo-2-pyridin-3-yl-1-(2-pyrrolidin-1-ium-1-ylethyl)-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@H]2C(=C(C(=O)N2CC[NH+]3CCCCC3)[O-])C(=O)/C=C/C4=CC=CO4)OCC

DOS

IR

Vibrations