Geometry & MOs

Info

ID:	415616
PubChem CID:	135088615
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	373.21139
ΔH_f, kcal/mol:	-23.36
Dipole, Da:	3.21
IP(EA), eV:	-9.19(-0.25)
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-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)CC3=CC=CC=C3OCCN4C=CN=C4

DOS

IR

Vibrations