Geometry & MOs

Info

ID:	139813
PubChem CID:	52601535
Reduced:	N2O4C18H23 (1)
Stoich.:	A2B4C18D23 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-17.8
Dipole, Da:	6.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753263
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-(3-nitrophenoxy)ethanamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC[NH+](C)CCOC2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations