Geometry & MOs

Info

ID:	133735
PubChem CID:	51584554
Reduced:	O3N5C23H30 (1)
Stoich.:	A3B5C23D30 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	18.47
Dipole, Da:	10.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.858413
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[2-[(3R)-3-methylpiperidin-1-yl]-4-[(2S)-oxolan-2-yl]pyrimidin-5-yl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=C2C=NN=C2C3CCN(CC3)C(=O)C4=C(OC(=C4)C)C[NH+]5CCCC5)ON1

DOS

IR

Vibrations