Geometry & MOs

Info

ID:	207122
PubChem CID:	80350242
Reduced:	OCl2N2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	359.94318
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	6.13
IP(EA), eV:	-8.26(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-bromo-4-methoxyphenyl)-4,5-dichlorobenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CNC2=CC(=C(C=C2N)Cl)Cl)O

DOS

IR

Vibrations