Geometry & MOs

Info

ID:	313191
PubChem CID:	126612460
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	405.185255
ΔH_f, kcal/mol:	-0.68
Dipole, Da:	7.85
IP(EA), eV:	-8.71(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methylphenyl)-5-[[5-(2-oxopyridin-1-yl)pyridin-2-yl]methyl]azepan-2-one

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)C2=CC3=C(CCN3C(=O)C4=CN=NN4O)C=C2

DOS

IR

Vibrations