Geometry & MOs

Info

ID:	332246
PubChem CID:	127250532
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	380.20124
ΔH_f, kcal/mol:	15.16
Dipole, Da:	4.55
IP(EA), eV:	-9.09(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCOC(C2)C3=CC=CC(=N3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations