Geometry & MOs

Info

ID:	415097
PubChem CID:	135088083
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-29.33
Dipole, Da:	1.94
IP(EA), eV:	-9.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations