Geometry & MOs

Info

ID:	331176
PubChem CID:	127248583
Reduced:	FO2N6C23H29 (1)
Stoich.:	AB2C6D23E29 (1)
Weight, g/mol:	441.217618
ΔH_f, kcal/mol:	-14.25
Dipole, Da:	2.93
IP(EA), eV:	-8.55(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CN=C(N=C3)N(C)C)CCOC4=CC=CC=C4F

DOS

IR

Vibrations