Geometry & MOs

Info

ID:	306357
PubChem CID:	125003896
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	-83.4
Dipole, Da:	7.19
IP(EA), eV:	-8.86(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(3S)-3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@H]2CCN(C2)CC3=CC=CC=C3OCC(=O)O)NC

DOS

IR

Vibrations