Geometry & MOs

Info

ID:	306010
PubChem CID:	125000105
Reduced:	NOC15H17 (2)
Stoich.:	ABC15D17 (2)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-26.38
Dipole, Da:	3.1
IP(EA), eV:	-8.92(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylpyrazol-1-yl)-1-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN([C@@H]1C[C@H](OC2(C1)CCNCC2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C5=CC=CC=C5

DOS

IR

Vibrations