Geometry & MOs

Info

ID:	423213
PubChem CID:	135119125
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	373.175004
ΔH_f, kcal/mol:	-131.6
Dipole, Da:	8.17
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations