Geometry & MOs

Info

ID:	272459
PubChem CID:	103743493
Reduced:	NO2F3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-241.22
Dipole, Da:	2.9
IP(EA), eV:	-9.3(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNCC2=CC(=CC=C2)OC(F)(F)F

DOS

IR

Vibrations