Geometry & MOs

Info

ID:	205329
PubChem CID:	80086920
Reduced:	BrClN2O2C9H10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	354.01345
ΔH_f, kcal/mol:	-63.56
Dipole, Da:	5.72
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-4-chlorophenyl)-1-(3-methoxyphenyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(CN)C(=O)O)Br)Cl

DOS

IR

Vibrations