Geometry & MOs

Info

ID:	127215
PubChem CID:	50994855
Reduced:	NOC25H51 (1)
Stoich.:	ABC25D51 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-131.63
Dipole, Da:	1.98
IP(EA), eV:	-8.93(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(3S)-1-(2-cyano-4-phenylphenyl)pyrrolidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCCCCCCC(=NC(C)C)C(CCCCCC)(CCCCCC)OC

DOS

IR

Vibrations