Geometry & MOs

Info

ID:	417758
PubChem CID:	135102660
Reduced:	ClN3O4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-118.98
Dipole, Da:	5.65
IP(EA), eV:	-9.31(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(ON=C1NCCOC)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations