Geometry & MOs

Info

ID:	332552
PubChem CID:	127250838
Reduced:	ClO3N6C21H25 (1)
Stoich.:	AB3C6D21E25 (1)
Weight, g/mol:	425.186318
ΔH_f, kcal/mol:	-35.07
Dipole, Da:	3.74
IP(EA), eV:	-9.32(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-[2-(methylamino)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations