Geometry & MOs

Info

ID:	420304
PubChem CID:	135112360
Reduced:	SN3O3C11H19 (1)
Stoich.:	AB3C3D11E19 (1)
Weight, g/mol:	348.196154
ΔH_f, kcal/mol:	-73.43
Dipole, Da:	0.79
IP(EA), eV:	-8.86(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1-methylpiperidin-2-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC1=NC(=NO1)COC)C(=O)CSCC

DOS

IR

Vibrations