Geometry & MOs

Info

ID:	159716
PubChem CID:	57288661
Reduced:	O2N3H23C25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	390.27701
ΔH_f, kcal/mol:	12.49
Dipole, Da:	4.76
IP(EA), eV:	-8.11(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,2S,3S,6R)-2-(4-cyclohexyl-3-hydroxybut-1-enyl)-3-hydroxy-6,8-dimethyl-7-bicyclo[4.2.0]octanylidene]butanoic acid

Drug info:

PubChemData

Smile

CCC=CC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)N

DOS

IR

Vibrations