Geometry & MOs

Info

ID:	277878
PubChem CID:	103831500
Reduced:	N2O3C16H30 (1)
Stoich.:	A2B3C16D30 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-168.26
Dipole, Da:	1.05
IP(EA), eV:	-8.99(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(2,3-dihydro-1,4-benzoxazin-4-yl)hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N(CC1CCCO1)CC2CCCO2)N

DOS

IR

Vibrations