Geometry & MOs

Info

ID:	206522
PubChem CID:	80264206
Reduced:	BrNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	307.133907
ΔH_f, kcal/mol:	-82.88
Dipole, Da:	5.3
IP(EA), eV:	-9.09(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[chloro-(1-methylcyclopentyl)methyl]-3-propyl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CCC1(CCCC1)C(C2=CC3=C(C=C2)N(C(=O)O3)CC)Br

DOS

IR

Vibrations