Geometry & MOs

Info

ID:	421807
PubChem CID:	135116648
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	390.241962
ΔH_f, kcal/mol:	-52.29
Dipole, Da:	4.61
IP(EA), eV:	-9.11(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CC(COC1)CC(=O)N2CCCN(CC2)CC3=NC=CN3C4CC4

DOS

IR

Vibrations