Geometry & MOs

Info

ID:	290520
PubChem CID:	104643460
Reduced:	ClNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	271.097521
ΔH_f, kcal/mol:	-120.38
Dipole, Da:	1.03
IP(EA), eV:	-8.4(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methoxy-6-(1,4-oxazepan-4-ylmethyl)phenol

Drug info:

PubChemData

Smile

CCC1COCCN1CC2=C(C(=CC(=C2)Cl)OC)O

DOS

IR

Vibrations