Geometry & MOs

Info

ID:	374701
PubChem CID:	131342508
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-85.59
Dipole, Da:	1.2
IP(EA), eV:	-8.24(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)N)C)CC(=O)OC

DOS

IR

Vibrations