Geometry & MOs

Info

ID:	51074
PubChem CID:	12013694
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-129.75
Dipole, Da:	7.95
IP(EA), eV:	-9.63(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-amino-2-[(4-methoxyphenyl)methyl]-2-methyl-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[C@](C)(C(=O)N)C(=O)O

DOS

IR

Vibrations