Geometry & MOs

Info

ID:	206521
PubChem CID:	80264165
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	351.08339
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	4.87
IP(EA), eV:	-9.79(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[bromo-(1-ethylcyclopentyl)methyl]-3-ethyl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN(C)CC(C(=O)O)N

DOS

IR

Vibrations