Geometry & MOs

Info

ID:	349534
PubChem CID:	127275421
Reduced:	SO3N4C15H24 (1)
Stoich.:	AB3C4D15E24 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-95.87
Dipole, Da:	3.85
IP(EA), eV:	-8.81(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations