Geometry & MOs

Info

ID:	331152
PubChem CID:	127248559
Reduced:	ClO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	407.161184
ΔH_f, kcal/mol:	-44.95
Dipole, Da:	2.25
IP(EA), eV:	-9.11(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(2-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-3-methoxypropan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C(=O)CC3=CC=CC=N3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations