Geometry & MOs

Info

ID:	331162
PubChem CID:	127248569
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	413.222703
ΔH_f, kcal/mol:	22.35
Dipole, Da:	4.68
IP(EA), eV:	-8.79(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CN3CCOC(C3)C4=NN(C(=C4)CCOC5=CC=CC=C5)C

DOS

IR

Vibrations