Geometry & MOs

Info

ID:	214170
PubChem CID:	81087182
Reduced:	ON2C15H32 (1)
Stoich.:	AB2C15D32 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-104.24
Dipole, Da:	3.33
IP(EA), eV:	-9.15(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(aminomethyl)pentan-1-one

Drug info:

PubChemData

Smile

CCCCCN(CCCCC)C(=O)CC(C)CN

DOS

IR

Vibrations