Geometry & MOs

Info

ID:	412229
PubChem CID:	135085112
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	243.066221
ΔH_f, kcal/mol:	-95.04
Dipole, Da:	1.6
IP(EA), eV:	-10.2(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-(3-methylphenyl)-3-oxopropanoate;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C#CC[C@H](CCCCC=C)O

DOS

IR

Vibrations