Geometry & MOs

Info

ID:	265814
PubChem CID:	103549227
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	285.088019
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	2.77
IP(EA), eV:	-9.01(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-N-(morpholin-3-ylmethyl)-4-nitroaniline

Drug info:

PubChemData

Smile

COC(=O)C1=CN=CC(=N1)NCC2COCCN2

DOS

IR

Vibrations