Geometry & MOs

Info

ID:	349606
PubChem CID:	127275758
Reduced:	F2N2O3C19H26 (1)
Stoich.:	A2B2C3D19E26 (1)
Weight, g/mol:	269.210327
ΔH_f, kcal/mol:	-213.9
Dipole, Da:	4.19
IP(EA), eV:	-9.55(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)OCCNC(=O)N2CCOC(C2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations