Geometry & MOs

Info

ID:	421685
PubChem CID:	135116426
Reduced:	N5O5C29H43 (1)
Stoich.:	A5B5C29D43 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-231.81
Dipole, Da:	4.25
IP(EA), eV:	-9.53(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)C3CCC3)C(C)C

DOS

IR

Vibrations