Geometry & MOs

Info

ID:	206198
PubChem CID:	80217998
Reduced:	BrNSO3C14H16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	312.9869
ΔH_f, kcal/mol:	-64.81
Dipole, Da:	7.05
IP(EA), eV:	-9.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromofuran-2-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC(=CC=C1)S(=O)(=O)C)C2=CC=C(O2)Br

DOS

IR

Vibrations