Geometry & MOs

Info

ID:	423458
PubChem CID:	135119534
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-15.07
Dipole, Da:	2.56
IP(EA), eV:	-9.25(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

COCC1=NOC(=N1)CN2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations