Geometry & MOs

Info

ID:	198047
PubChem CID:	79037562
Reduced:	BrOF2N2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-120.13
Dipole, Da:	3.73
IP(EA), eV:	-9.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)NC2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations