Geometry & MOs

Info

ID:	324174
PubChem CID:	126677068
Reduced:	N8H16C19 (1)
Stoich.:	A8B16C19 (1)
Weight, g/mol:	226.076057
ΔH_f, kcal/mol:	184.62
Dipole, Da:	4.19
IP(EA), eV:	-9.02(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-methyl-2-(oxan-4-yl)phenol

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N)N=C1

DOS

IR

Vibrations