Geometry & MOs

Info

ID:	258274
PubChem CID:	103152482
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	270.149891
ΔH_f, kcal/mol:	-138.91
Dipole, Da:	11.04
IP(EA), eV:	-9.21(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(2-chlorophenyl)ethyl]-2-methoxy-N'-methylbutane-1,4-diamine

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=C2C=CNC2=CC=C1

DOS

IR

Vibrations