Geometry & MOs

Info

ID:	425996
PubChem CID:	135134506
Reduced:	F2O3N4C33H34 (1)
Stoich.:	A2B3C4D33E34 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	-106.62
Dipole, Da:	7.55
IP(EA), eV:	-8.3(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-7-hydroxyheptan-2-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CN1CCC(C1)OC2=CC(=CC3=C2N(C(=O)C34CCC4)CC5=CC=C(C=C5)OC)C(=NC6=C(C=C(C=C6)F)F)/C=C\N

DOS

IR

Vibrations