Geometry & MOs

Info

ID:	349613
PubChem CID:	127275765
Reduced:	FN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	319.156577
ΔH_f, kcal/mol:	-128.39
Dipole, Da:	3.03
IP(EA), eV:	-9.39(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2CCC3=C2C=CC=C3F

DOS

IR

Vibrations