Geometry & MOs

Info

ID:	202207
PubChem CID:	79642335
Reduced:	ON3C16H31 (1)
Stoich.:	AB3C16D31 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	3.35
IP(EA), eV:	-8.48(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)N2CC(CCC2C)C)C(=O)N

DOS

IR

Vibrations