Geometry & MOs

Info

ID:	422204
PubChem CID:	135117395
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	-10.37
Dipole, Da:	1.98
IP(EA), eV:	-8.13(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1N2CCC[C@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations