Geometry & MOs

Info

ID:	331171
PubChem CID:	127248578
Reduced:	F2O3N5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	443.172417
ΔH_f, kcal/mol:	-117.57
Dipole, Da:	4.59
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-(1,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=C(C=C4)F)F)C)C

DOS

IR

Vibrations