Geometry & MOs

Info

ID:	299730
PubChem CID:	117688929
Reduced:	N2O2C9H16 (1)
Stoich.:	A2B2C9D16 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-83.35
Dipole, Da:	6.35
IP(EA), eV:	-10.27(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(3-methoxy-3-oxopropyl)amino]-2,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CC(C)[C@@](C)(C(=O)O)NCCC#N

DOS

IR

Vibrations