Geometry & MOs

Info

ID:	331788
PubChem CID:	127250072
Reduced:	FSO2N3H22C25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	-36.27
Dipole, Da:	3.84
IP(EA), eV:	-9.36(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-benzylpyridin-2-yl)-4-[(1-ethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCOC(C3)C4=CC=CC(=N4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations