Geometry & MOs

Info

ID:	232453
PubChem CID:	87576219
Reduced:	BrClON5C13H15 (1)
Stoich.:	ABCD5E13F15 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	17.84
Dipole, Da:	7.44
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CNC2=C(C(=NC(=N2)N)Cl)Br

DOS

IR

Vibrations