Geometry & MOs

Info

ID:	267403
PubChem CID:	103582114
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	285.01868
ΔH_f, kcal/mol:	-53.24
Dipole, Da:	1.9
IP(EA), eV:	-8.38(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)thiolan-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(C)C2CCOC2

DOS

IR

Vibrations