Geometry & MOs

Info

ID:	387639
PubChem CID:	134986267
Reduced:	ClINOH9C12 (1)
Stoich.:	ABCDE9F12 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	12.93
Dipole, Da:	2.15
IP(EA), eV:	-8.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5aR,9aS)-5a,6,7,8,9,10-hexahydrophenoxazin-9a-yl]ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=CC(=C(C=C2)O)Cl)I

DOS

IR

Vibrations