Geometry & MOs

Info

ID:	267295
PubChem CID:	103581672
Reduced:	BrClNC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	318.97971
ΔH_f, kcal/mol:	31.36
Dipole, Da:	4.01
IP(EA), eV:	-9.3(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC1NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations