Geometry & MOs

Info

ID:	331202
PubChem CID:	127248609
Reduced:	F2O2N5C23H27 (1)
Stoich.:	A2B2C5D23E27 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	-79.87
Dipole, Da:	3.05
IP(EA), eV:	-8.98(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(1-methylindol-3-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CCC1=NC=C(C=N1)CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations