Geometry & MOs

Info

ID:	333039
PubChem CID:	127251463
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	390.241962
ΔH_f, kcal/mol:	34.51
Dipole, Da:	3.91
IP(EA), eV:	-8.81(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-methyl-4-[(4-methylphenyl)methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations