Geometry & MOs

Info

ID:	280060
PubChem CID:	103846633
Reduced:	O2N5C13H15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	3.53
Dipole, Da:	6.13
IP(EA), eV:	-9.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-methyl-1-(4-methyl-2-nitroanilino)butan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)N2CCN3C=NN=C3C2

DOS

IR

Vibrations