Geometry & MOs

Info

ID:	419415
PubChem CID:	135108134
Reduced:	NO2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	-175.46
Dipole, Da:	5.59
IP(EA), eV:	-8.92(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(6-methyl-2-propylpyrimidin-4-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)CCN4CCCCC4=O)OCC2

DOS

IR

Vibrations