Geometry & MOs

Info

ID:	323797
PubChem CID:	126676198
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	374.164185
ΔH_f, kcal/mol:	-73.02
Dipole, Da:	0.94
IP(EA), eV:	-9.64(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 1-[(2-fluoro-3-methylphenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CN(N=C1)C(=O)OC(C)(C)C

DOS

IR

Vibrations