Geometry & MOs

Info

ID:	420994
PubChem CID:	135115176
Reduced:	N2O3C18H30 (1)
Stoich.:	A2B3C18D30 (1)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-167.69
Dipole, Da:	3.3
IP(EA), eV:	-9.09(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(4-phenoxybutyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)CCN3CCCCC3=O

DOS

IR

Vibrations