Geometry & MOs

Info

ID:	137090
PubChem CID:	52151232
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-56.97
Dipole, Da:	2.46
IP(EA), eV:	-9.03(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-5-oxo-2-pyridin-2-yl-1-(2-pyrrolidin-1-ium-1-ylethyl)-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

C1CCN(C1)CCN2[C@@H](C(=C(C2=O)O)C(=O)/C=C/C3=CC=CO3)C4=CC=CC=N4

DOS

IR

Vibrations