Geometry & MOs

Info

ID:	333046
PubChem CID:	127251470
Reduced:	OF3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	-128.28
Dipole, Da:	5.47
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2-chlorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-(1,3-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=CN(N=C3C)C)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations