Geometry & MOs

Info

ID:	282756
PubChem CID:	103938042
Reduced:	ON3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	320.05243
ΔH_f, kcal/mol:	-42.48
Dipole, Da:	4.85
IP(EA), eV:	-8.86(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(4-bromo-3-methylphenoxy)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations