Geometry & MOs

Info

ID:	333042
PubChem CID:	127251466
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-12.94
Dipole, Da:	4.23
IP(EA), eV:	-8.87(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[4-[(3-methoxyphenyl)methyl]-6-methylpyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations