Geometry & MOs

Info

ID:	341999
PubChem CID:	127264692
Reduced:	ClNOC4H7 (2)
Stoich.:	ABCD4E7 (2)
Weight, g/mol:	263.00764
ΔH_f, kcal/mol:	-125.4
Dipole, Da:	3.64
IP(EA), eV:	-9.2(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-bromophenyl)-2-methylpropan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)[C@H](CO)N.Cl.Cl

DOS

IR

Vibrations