Geometry & MOs

Info

ID:	188097
PubChem CID:	77668174
Reduced:	Cl3N3O5C19H20 (1)
Stoich.:	A3B3C5D19E20 (1)
Weight, g/mol:	439.070176
ΔH_f, kcal/mol:	-126.58
Dipole, Da:	10.36
IP(EA), eV:	-9.53(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) N-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CN(C1CN(CCO1)CC2=CC(=C(C=C2)Cl)Cl)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-].Cl

DOS

IR

Vibrations