Geometry & MOs

Info

ID:	324907
PubChem CID:	126678579
Reduced:	ON2C23H28 (1)
Stoich.:	AB2C23D28 (1)
Weight, g/mol:	417.226371
ΔH_f, kcal/mol:	27.98
Dipole, Da:	7.49
IP(EA), eV:	-8.26(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-[(2S)-3-methyl-2-[(4-morpholin-4-ylbenzoyl)amino]butanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCC(=C)C1=CC2=C(C=CN=C2C=C1)[C@H]3C4CC5CCN4CC5(O3)CC

DOS

IR

Vibrations