Geometry & MOs

Info

ID:	375094
PubChem CID:	131465924
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-69.46
Dipole, Da:	3.91
IP(EA), eV:	-8.58(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(1,4-oxazepan-2-yl)phenol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(CCO2)CCN

DOS

IR

Vibrations