Geometry & MOs

Info

ID:	176778
PubChem CID:	76097391
Reduced:	N6O13C22H28 (1)
Stoich.:	A6B13C22D28 (1)
Weight, g/mol:	358.263858
ΔH_f, kcal/mol:	-494.44
Dipole, Da:	10.27
IP(EA), eV:	-9.58(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[4-(chloromethyl)oct-1-enyl]cyclopentyl]heptane-1,1-diol

Drug info:

PubChemData

Smile

COC1(CC(NC1=O)OC(CC(=O)O)C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)(CC(=O)O)O)(CC(=O)O)O)OC

DOS

IR

Vibrations