Geometry & MOs

Info

ID:	297026
PubChem CID:	117606403
Reduced:	IO2F3N5H17C20 (1)
Stoich.:	AB2C3D5E17F20 (1)
Weight, g/mol:	451.402545
ΔH_f, kcal/mol:	-115.52
Dipole, Da:	4.93
IP(EA), eV:	-9.72(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptyl 1-hexadecanoylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1CC2=C(CN1C(=O)C3=C(C(=CC=C3)OC(F)(F)I)F)N=C(N=C2C4=CC=NN4)C

DOS

IR

Vibrations