Geometry & MOs

Info

ID:	279741
PubChem CID:	103844953
Reduced:	BrNOF3C11H13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	299.08848
ΔH_f, kcal/mol:	-195.06
Dipole, Da:	5.7
IP(EA), eV:	-9.56(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromo-4-methylphenyl)methylamino]-4-methylpentan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNCC(C(F)(F)F)O)Br

DOS

IR

Vibrations