Geometry & MOs

Info

ID:	129240
PubChem CID:	51072033
Reduced:	ClION2H4C6 (1)
Stoich.:	ABCD2E4F6 (1)
Weight, g/mol:	194.105528
ΔH_f, kcal/mol:	6.57
Dipole, Da:	4.65
IP(EA), eV:	-10.03(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-3-(ethylamino)benzoate

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1I)Cl)C(=O)N

DOS

IR

Vibrations