Geometry & MOs

Info

ID:	267315
PubChem CID:	103581759
Reduced:	BrClSN2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	304.96406
ΔH_f, kcal/mol:	47.6
Dipole, Da:	2.79
IP(EA), eV:	-9.48(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]thiolan-3-amine

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations