Geometry & MOs

Info

ID:	217490
PubChem CID:	85087897
Reduced:	ClON6H17C18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	368.211823
ΔH_f, kcal/mol:	51.15
Dipole, Da:	7.01
IP(EA), eV:	-8.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloroethyl)-7a-(4,8-dimethylnona-3,7-dienyl)-4a-hydroxy-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran-3-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NC(=NC3=C2CCN3C4=CC=C(C=C4)Cl)C#N)C(=O)N

DOS

IR

Vibrations