Geometry & MOs

Info

ID:	306446
PubChem CID:	125011755
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	14.58
Dipole, Da:	5.82
IP(EA), eV:	-9.04(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,6-dimethyl-2-[(3R)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CN1CCN(C[C@@H]1C2=CC=CC=C2)C(=O)CCN3C=CN=C3

DOS

IR

Vibrations