Geometry & MOs

Info

ID:	332440
PubChem CID:	127250726
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	427.166269
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	2.01
IP(EA), eV:	-8.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations