Geometry & MOs

Info

ID:	280562
PubChem CID:	103849904
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	-54.17
Dipole, Da:	4.89
IP(EA), eV:	-8.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]butanoate

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1)NC(=O)[C@H]3CCCO3

DOS

IR

Vibrations