Geometry & MOs

Info

ID:	296415
PubChem CID:	117573186
Reduced:	FNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	271.05718
ΔH_f, kcal/mol:	-89.34
Dipole, Da:	4.17
IP(EA), eV:	-8.7(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-methylanilino)methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CNC1=CC(=CC=C1)F)CO

DOS

IR

Vibrations