Geometry & MOs

Info

ID:	397198
PubChem CID:	135029878
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	239.079373
ΔH_f, kcal/mol:	17.7
Dipole, Da:	3.87
IP(EA), eV:	-8.95(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methoxy-2-(methoxycarbonylamino)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OC2=CC=NC3=CC=CC=C32

DOS

IR

Vibrations