Geometry & MOs

Info

ID:	324087
PubChem CID:	126676900
Reduced:	F3O3N4H15C16 (1)
Stoich.:	A3B3C4D15E16 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-198.78
Dipole, Da:	6.36
IP(EA), eV:	-9.19(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(butan-2-ylamino)ethenyl]-1-[1-(3-methoxyphenyl)ethyl]-N-methyl-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN=C(N)NNC2=CC=C(C=C2)OC(F)(F)F)C(=O)O

DOS

IR

Vibrations