Geometry & MOs

Info

ID:	202004
PubChem CID:	79617412
Reduced:	BrNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	198.116841
ΔH_f, kcal/mol:	-30.51
Dipole, Da:	3.0
IP(EA), eV:	-8.86(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoropyridin-3-yl)-2-methoxy-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1Br)NC)OC

DOS

IR

Vibrations