Geometry & MOs

Info

ID:	332517
PubChem CID:	127250803
Reduced:	F2N4O4C21H24 (1)
Stoich.:	A2B4C4D21E24 (1)
Weight, g/mol:	443.172417
ΔH_f, kcal/mol:	-200.09
Dipole, Da:	1.92
IP(EA), eV:	-9.37(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-3-(2-methylimidazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations