Geometry & MOs

Info

ID:	21861
PubChem CID:	592849
Reduced:	ClNO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	185.024356
ΔH_f, kcal/mol:	-75.6
Dipole, Da:	2.21
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-6-chlorobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC=C1Cl)N

DOS

IR

Vibrations