Geometry & MOs

Info

ID:	295147
PubChem CID:	117518621
Reduced:	BrNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	353.08128
ΔH_f, kcal/mol:	-76.0
Dipole, Da:	6.09
IP(EA), eV:	-8.39(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-bromo-4-(thiolan-3-yl)phenyl]cyclohexyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)CC2CCCN2)OC3CCCC3

DOS

IR

Vibrations