Geometry & MOs

Info

ID:	282727
PubChem CID:	103937270
Reduced:	FN3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-5.47
Dipole, Da:	4.66
IP(EA), eV:	-8.55(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(1,4-oxazepan-4-yl)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)N(CC)C2=CC=C(C=C2)F)N

DOS

IR

Vibrations