Geometry & MOs

Info

ID:	374698
PubChem CID:	131342503
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	0.37
IP(EA), eV:	-8.27(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-amino-2,4-dimethylphenyl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations