Geometry & MOs

Info

ID:	210061
PubChem CID:	80756706
Reduced:	N2C5H8 (3)
Stoich.:	A2B5C8 (3)
Weight, g/mol:	276.168522
ΔH_f, kcal/mol:	50.7
Dipole, Da:	3.32
IP(EA), eV:	-8.06(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C2=NC(=CN3C2=NC=C3)NCC

DOS

IR

Vibrations