Geometry & MOs

Info

ID:	373060
PubChem CID:	131309276
Reduced:	BrNOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	251.070403
ΔH_f, kcal/mol:	5.65
Dipole, Da:	4.08
IP(EA), eV:	-9.18(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(thian-3-yl)-5-(trifluoromethyl)-1H-imidazol-4-amine

Drug info:

PubChemData

Smile

C1C(OC2=C1C=CC(=C2)Br)CCC#N

DOS

IR

Vibrations