Geometry & MOs

Info

ID:	349597
PubChem CID:	127275749
Reduced:	F2N2O3C18H24 (1)
Stoich.:	A2B2C3D18E24 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-211.22
Dipole, Da:	6.67
IP(EA), eV:	-9.36(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)OCCNC(=O)N2CCOC(C2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations