Geometry & MOs

Info

ID:	354303
PubChem CID:	127286267
Reduced:	O2F4N4C17H22 (1)
Stoich.:	A2B4C4D17E22 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-259.45
Dipole, Da:	7.77
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-morpholin-4-ylethyl)phenyl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NC3=CN=C(C=C3)OCC(C(F)F)(F)F

DOS

IR

Vibrations