Geometry & MOs

Info

ID:	421773
PubChem CID:	135116567
Reduced:	O4N5C28H35 (1)
Stoich.:	A4B5C28D35 (1)
Weight, g/mol:	373.21139
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	2.5
IP(EA), eV:	-7.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]pyrimidin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1CC2CCCN(C2)C(=O)C3=CC=C(C=C3)OCCCN4C=C(COC5=C(C1)C=CC=C5OC)N=N4

DOS

IR

Vibrations