Geometry & MOs

Info

ID:	197725
PubChem CID:	78989409
Reduced:	NO3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-142.11
Dipole, Da:	7.31
IP(EA), eV:	-9.7(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-amino-3-(2-ethylphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)CCN(CC1(CCOCC1)C(=O)O)C2CC2

DOS

IR

Vibrations