Geometry & MOs

Info

ID:	333078
PubChem CID:	127251502
Reduced:	OF3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	390.241962
ΔH_f, kcal/mol:	-119.11
Dipole, Da:	4.81
IP(EA), eV:	-8.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzyl-6-methylpyridin-2-yl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=CN(N=C3)C)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations