Geometry & MOs

Info

ID:	218192
PubChem CID:	85089013
Reduced:	NO2C29H43 (1)
Stoich.:	AB2C29D43 (1)
Weight, g/mol:	438.024939
ΔH_f, kcal/mol:	-133.83
Dipole, Da:	2.87
IP(EA), eV:	-7.66(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-bis(2,6-dichloro-4-methoxyphenyl)-N'-ethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1CCC2=C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C)C

DOS

IR

Vibrations