Geometry & MOs

Info

ID:	318015
PubChem CID:	126648362
Reduced:	NOF3H18C20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	374.164185
ΔH_f, kcal/mol:	-160.3
Dipole, Da:	7.67
IP(EA), eV:	-9.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-3-methylphenyl)methyl 1-butyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C2C3CCC(C2=C1)CC3)C4=CN=C(C=C4)C(F)(F)F

DOS

IR

Vibrations