Geometry & MOs

Info

ID:	379289
PubChem CID:	134357071
Reduced:	FO3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	411.170668
ΔH_f, kcal/mol:	-82.63
Dipole, Da:	5.9
IP(EA), eV:	-8.31(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[6-(6-fluoropyridin-3-yl)pyridin-3-yl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide

Drug info:

PubChemData

Smile

C1CC(=C(N(C1)CC(=O)N/C(=C/C=C(/C2=CN=C(C=C2)F)\N)/N)C=O)C=O

DOS

IR

Vibrations