Geometry & MOs

Info

ID:	372076
PubChem CID:	131292846
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	319.00693
ΔH_f, kcal/mol:	-65.16
Dipole, Da:	2.89
IP(EA), eV:	-9.45(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-2-(2-iodo-5-methylphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C2CCCCN2)C(=O)N

DOS

IR

Vibrations