Geometry & MOs

Info

ID:	55606
PubChem CID:	17395650
Reduced:	FO2N6H13C16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	-11.97
Dipole, Da:	1.67
IP(EA), eV:	-8.76(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

DOS

IR

Vibrations