Geometry & MOs

Info

ID:	159770
PubChem CID:	57288732
Reduced:	NOH17C19 (2)
Stoich.:	ABC17D19 (2)
Weight, g/mol:	256.203845
ΔH_f, kcal/mol:	95.88
Dipole, Da:	1.81
IP(EA), eV:	-8.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)nonan-5-yl 2-methylbut-2-enoate

Drug info:

PubChemData

Smile

C1CC1C(CNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=C(C=C5)C6=NC7=CC=CC=C7O6

DOS

IR

Vibrations