Geometry & MOs

Info

ID:	139950
PubChem CID:	52621266
Reduced:	ClNO4H14C15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-125.21
Dipole, Da:	5.72
IP(EA), eV:	-9.03(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

CN1C=CC(=CC1=O)C(=O)OCCOC2=CC=C(C=C2)Cl

DOS

IR

Vibrations