Geometry & MOs

Info

ID:	332451
PubChem CID:	127250737
Reduced:	F2O3N4H20C21 (1)
Stoich.:	A2B3C4D20E21 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-114.3
Dipole, Da:	4.45
IP(EA), eV:	-9.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylmethyl)-2-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=CC=N2)C3=NNC(=C3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations