Geometry & MOs

Info

ID:	199376
PubChem CID:	79237568
Reduced:	ClON4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	22.17
Dipole, Da:	2.37
IP(EA), eV:	-9.22(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzoate

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1Cl)NC(C)C2=C(ON=C2C)C

DOS

IR

Vibrations