Geometry & MOs

Info

ID:	205331
PubChem CID:	80086922
Reduced:	BrClSN2C11H16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	290.01854
ΔH_f, kcal/mol:	10.85
Dipole, Da:	8.12
IP(EA), eV:	-8.35(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCC(CN)NC1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations