Geometry & MOs

Info

ID:	267233
PubChem CID:	103581455
Reduced:	BrNF2O2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	291.00255
ΔH_f, kcal/mol:	-179.43
Dipole, Da:	3.45
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-1-methoxypropan-2-amine

Drug info:

PubChemData

Smile

CC1C(CCO1)(C)NCC2=C(C=CC(=C2)Br)OC(F)F

DOS

IR

Vibrations