Geometry & MOs

Info

ID:	444579
PubChem CID:	135262900
Reduced:	BrNSO4H12C16 (1)
Stoich.:	ABCD4E12F16 (1)
Weight, g/mol:	315.00255
ΔH_f, kcal/mol:	-99.77
Dipole, Da:	9.31
IP(EA), eV:	-9.39(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C(=O)O

DOS

IR

Vibrations