Geometry & MOs

Info

ID:	205492
PubChem CID:	80111027
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-35.45
Dipole, Da:	8.32
IP(EA), eV:	-8.22(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-methyl-5-(oxan-3-ylamino)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)C(=O)OC)NCCN2C=CN=C2

DOS

IR

Vibrations