Geometry & MOs

Info

ID:	146669
PubChem CID:	53728060
Reduced:	P3N5O6C24H40 (1)
Stoich.:	A3B5C6D24E40 (1)
Weight, g/mol:	266.22458
ΔH_f, kcal/mol:	-263.3
Dipole, Da:	6.54
IP(EA), eV:	-8.01(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-(7-hydroxyheptyl)-3-pent-1-enylcyclopentan-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C(=C(C=C1)OP2NPN(P(N2OC3=CC=CC=C3N)OC(C)C)OC(C)C)N)OC(C)C

DOS

IR

Vibrations