Geometry & MOs

Info

ID:	375021
PubChem CID:	131465223
Reduced:	SN5C8H9 (1)
Stoich.:	AB5C8D9 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	87.08
Dipole, Da:	6.2
IP(EA), eV:	-8.77(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-amino-3,5-dimethylphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN=NC(=N2)C)N

DOS

IR

Vibrations