Geometry & MOs

Info

ID:	354691
PubChem CID:	127287390
Reduced:	F2N3O3C19H27 (1)
Stoich.:	A2B3C3D19E27 (1)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-206.77
Dipole, Da:	4.78
IP(EA), eV:	-9.05(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(C)N1CCOCC1)NC(=O)N2CCOC(C2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations