Geometry & MOs

Info

ID:	418601
PubChem CID:	135106099
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	348.190989
ΔH_f, kcal/mol:	100.61
Dipole, Da:	3.83
IP(EA), eV:	-9.12(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-6-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CC=CC5=NON=C54

DOS

IR

Vibrations