Geometry & MOs

Info

ID:	436206
PubChem CID:	135195049
Reduced:	N3H17C22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	326.22458
ΔH_f, kcal/mol:	121.78
Dipole, Da:	2.97
IP(EA), eV:	-9.25(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hex-5-enyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CC1=C(N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations