Geometry & MOs

Info

ID:	445708
PubChem CID:	135269025
Reduced:	F2N3C32H33 (1)
Stoich.:	A2B3C32D33 (1)
Weight, g/mol:	158.013457
ΔH_f, kcal/mol:	72.78
Dipole, Da:	5.21
IP(EA), eV:	-9.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-hydroxycyclohexa-1,3-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

CCCCCCCC1=CC2=C(C=C1)C(=NC=N2)C3=CC(=C(C=C3F)F)C(C=C)/C(=C(/C)\C=C)/N=CC#C

DOS

IR

Vibrations