Geometry & MOs

Info

ID:	278754
PubChem CID:	103837709
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-18.83
Dipole, Da:	5.24
IP(EA), eV:	-9.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(dimethylamino)-2-methyl-3-(4-methyl-2-nitroanilino)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCC(C)(CN(C)C)O

DOS

IR

Vibrations