Geometry & MOs

Info

ID:	373426
PubChem CID:	131315057
Reduced:	NC11H15 (1)
Stoich.:	AB11C15 (1)
Weight, g/mol:	235.95853
ΔH_f, kcal/mol:	22.89
Dipole, Da:	1.45
IP(EA), eV:	-8.96(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-methyl-1,3-benzoxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)C=CCN

DOS

IR

Vibrations