Geometry & MOs

Info

ID:	197323
PubChem CID:	78952475
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	285.088019
ΔH_f, kcal/mol:	-23.45
Dipole, Da:	3.74
IP(EA), eV:	-8.93(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)NCC2CN(CCO2)C

DOS

IR

Vibrations