Geometry & MOs

Info

ID:	305743
PubChem CID:	124967412
Reduced:	FN3O4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	362.185509
ΔH_f, kcal/mol:	-164.22
Dipole, Da:	4.08
IP(EA), eV:	-9.1(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N2CCC[C@@](C2)(CC(=O)N)COC3=CC=C(C=C3)F)C

DOS

IR

Vibrations