Geometry & MOs

Info

ID:	269426
PubChem CID:	103617444
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-40.76
Dipole, Da:	6.96
IP(EA), eV:	-9.33(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3-carbamoylpyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)N)CC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations