Geometry & MOs

Info

ID:	331118
PubChem CID:	127248525
Reduced:	ClO3N4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	441.181919
ΔH_f, kcal/mol:	-81.06
Dipole, Da:	3.56
IP(EA), eV:	-9.17(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxyphenyl)methyl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC(=O)N3CCCCC3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations