Geometry & MOs

Info

ID:	374697
PubChem CID:	131342500
Reduced:	ClNOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-13.82
Dipole, Da:	2.99
IP(EA), eV:	-9.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC#N)C1=C(C(=CC=C1)Cl)O

DOS

IR

Vibrations