Geometry & MOs

Info

ID:	337154
PubChem CID:	127256719
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	309.929976
ΔH_f, kcal/mol:	-108.95
Dipole, Da:	5.43
IP(EA), eV:	-9.23(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,6,6-tetrachloro-3-phenylcyclohexa-2,4-dien-1-ol

Drug info:

PubChemData

Smile

C1CC(C(CN(C1)CC(=O)C2=CC=CC=C2)O)O

DOS

IR

Vibrations