Geometry & MOs

Info

ID:	172673
PubChem CID:	75539658
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	281.00851
ΔH_f, kcal/mol:	-16.86
Dipole, Da:	0.98
IP(EA), eV:	-8.12(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-1-cyclopropylsulfonylpiperidine

Drug info:

PubChemData

Smile

CC(C)COC1=CC2=C(C=C1)NC=C2

DOS

IR

Vibrations