Geometry & MOs

Info

ID:	305584
PubChem CID:	124960950
Reduced:	F2O2N3C25H27 (1)
Stoich.:	A2B2C3D25E27 (1)
Weight, g/mol:	312.231397
ΔH_f, kcal/mol:	-109.58
Dipole, Da:	4.6
IP(EA), eV:	-9.26(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylpyrazol-3-yl)-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1F)CC(=O)N2CCC[C@@H](C2)C3=NC=C(O3)CC4=CC(=CC=C4)F

DOS

IR

Vibrations