Geometry & MOs

Info

ID:	264896
PubChem CID:	103501621
Reduced:	BrNSC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	285.209264
ΔH_f, kcal/mol:	-0.72
Dipole, Da:	2.13
IP(EA), eV:	-8.07(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)CC2=C(C=CS2)Br

DOS

IR

Vibrations