Geometry & MOs

Info

ID:	201814
PubChem CID:	79587459
Reduced:	BrOSN2C16H25 (1)
Stoich.:	ABCD2E16F25 (1)
Weight, g/mol:	370.07145
ΔH_f, kcal/mol:	-39.61
Dipole, Da:	3.73
IP(EA), eV:	-8.79(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(5-bromopyridin-2-yl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol

Drug info:

PubChemData

Smile

CC(C)NC1(CCCC1CCSC2=C(C=CC=N2)Br)CO

DOS

IR

Vibrations