Geometry & MOs

Info

ID:	421443
PubChem CID:	135116020
Reduced:	N5C20H23 (1)
Stoich.:	A5B20C23 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	69.81
Dipole, Da:	2.95
IP(EA), eV:	-8.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(2-methyl-5-propan-2-ylpyrimidin-4-yl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C3CCCC3=C2)N4CCCC(C4)C5=NC=NN5

DOS

IR

Vibrations