Geometry & MOs

Info

ID:	421812
PubChem CID:	135116653
Reduced:	ON6C22H30 (1)
Stoich.:	AB6C22D30 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	20.84
Dipole, Da:	2.62
IP(EA), eV:	-8.53(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CN(C)CC4=CC=NC=C4

DOS

IR

Vibrations