Geometry & MOs

Info

ID:	266822
PubChem CID:	103579680
Reduced:	BrClSN2O2H12C13 (1)
Stoich.:	ABCD2E2F12G13 (1)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	-29.38
Dipole, Da:	3.97
IP(EA), eV:	-8.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,5-dimethyl-N-(oxan-3-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)N)NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations