Geometry & MOs

Info

ID:	421600
PubChem CID:	135116284
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	25.3
Dipole, Da:	3.8
IP(EA), eV:	-9.55(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-3-methoxy-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C(=O)C4=NN5C=CC=NC5=N4

DOS

IR

Vibrations