Geometry & MOs

Info

ID:	205527
PubChem CID:	80117453
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-22.61
Dipole, Da:	8.03
IP(EA), eV:	-8.01(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)C(=O)O)NC2=NN(C=C2)C

DOS

IR

Vibrations