Geometry & MOs

Info

ID:	279962
PubChem CID:	103845968
Reduced:	ClINC9H11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	241.04661
ΔH_f, kcal/mol:	17.27
Dipole, Da:	1.06
IP(EA), eV:	-9.5(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-3-methylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CCC(C1=C(C=CC(=C1)Cl)I)N

DOS

IR

Vibrations