Geometry & MOs

Info

ID:	374702
PubChem CID:	131342509
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	0.66
IP(EA), eV:	-8.35(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-amino-2,3-dimethylphenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)N)CC(=O)OC

DOS

IR

Vibrations