Geometry & MOs

Info

ID:	399901
PubChem CID:	135043640
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-72.65
Dipole, Da:	2.57
IP(EA), eV:	-9.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S)-2-amino-3-(3-methylphenyl)-4-nitrobutanoate

Drug info:

PubChemData

Smile

CCO[C@H](C)CC(=O)C1=CC=CC=C1

DOS

IR

Vibrations