Geometry & MOs

Info

ID:	305766
PubChem CID:	124968641
Reduced:	ClFO2N3C23H25 (1)
Stoich.:	ABC2D3E23F25 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-49.04
Dipole, Da:	2.76
IP(EA), eV:	-8.98(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[(3S)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)[C@@H]2CN(CCO2)CC3=CC=CC=C3Cl)CCOC4=CC=C(C=C4)F

DOS

IR

Vibrations