Geometry & MOs

Info

ID:	374699
PubChem CID:	131342504
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	0.41
IP(EA), eV:	-8.2(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-amino-2,3-dimethylphenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CC(=O)OC)N)C

DOS

IR

Vibrations