Geometry & MOs

Info

ID:	333044
PubChem CID:	127251468
Reduced:	ClON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	410.187339
ΔH_f, kcal/mol:	24.52
Dipole, Da:	3.65
IP(EA), eV:	-8.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=CN(N=C3C)C)CC4=CC=CC=C4Cl

DOS

IR

Vibrations