Geometry & MOs

Info

ID:	244642
PubChem CID:	99376179
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-137.13
Dipole, Da:	4.21
IP(EA), eV:	-9.34(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)C(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations