Geometry & MOs

Info

ID:	386371
PubChem CID:	134981541
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-97.35
Dipole, Da:	3.82
IP(EA), eV:	-9.31(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@@H]1C=CC[C@@H]2[C@H]1OCC2

DOS

IR

Vibrations