Geometry & MOs

Info

ID:	349635
PubChem CID:	127275787
Reduced:	ClFN3O3C19H27 (1)
Stoich.:	ABC3D3E19F27 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-172.73
Dipole, Da:	5.47
IP(EA), eV:	-9.33(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidocyclohexyl)-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC(=O)N2CCOC(C2)C3=CC(=C(C=C3)F)Cl)C

DOS

IR

Vibrations