Geometry & MOs

Info

ID:	306302
PubChem CID:	125003672
Reduced:	FON6C23H25 (1)
Stoich.:	ABC6D23E25 (1)
Weight, g/mol:	420.23254
ΔH_f, kcal/mol:	-1.16
Dipole, Da:	6.32
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-[4-(4-fluorophenyl)-6-methylpyridin-2-yl]piperidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCCC(=O)N2CCC[C@H]2C3=CN=CC(=N3)NC4=NC=CC=N4)F

DOS

IR

Vibrations