Geometry & MOs

Info

ID:	194451
PubChem CID:	78539186
Reduced:	Cl2N2O6H14C17 (1)
Stoich.:	A2B2C6D14E17 (1)
Weight, g/mol:	372.132136
ΔH_f, kcal/mol:	-142.99
Dipole, Da:	3.57
IP(EA), eV:	-9.6(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations