Geometry & MOs

Info

ID:	291578
PubChem CID:	113446012
Reduced:	ClNC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	327.90727
ΔH_f, kcal/mol:	-14.35
Dipole, Da:	1.7
IP(EA), eV:	-8.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(5-chlorothiophen-2-yl)-1,3-benzoxazol-7-amine

Drug info:

PubChemData

Smile

CCC1CN(C(CN1)C)C2=C(C=C(C(=C2)Cl)C)Cl

DOS

IR

Vibrations