Geometry & MOs

Info

ID:	331818
PubChem CID:	127250102
Reduced:	ClN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	418.273262
ΔH_f, kcal/mol:	-43.93
Dipole, Da:	5.39
IP(EA), eV:	-9.42(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-[6-[(2-methylphenyl)methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations