Geometry & MOs

Info

ID:	207867
PubChem CID:	80462871
Reduced:	ON2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	185.060742
ΔH_f, kcal/mol:	15.19
Dipole, Da:	2.19
IP(EA), eV:	-9.2(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-7-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole

Drug info:

PubChemData

Smile

CCCNCC1=NOC(=C1C)C2CC2

DOS

IR

Vibrations