Geometry & MOs

Info

ID:	332322
PubChem CID:	127250608
Reduced:	O4N5C23H25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	408.23254
ΔH_f, kcal/mol:	-55.19
Dipole, Da:	2.63
IP(EA), eV:	-8.23(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1CN3CCOC(C3)C4=CC=CC(=N4)C5=CN=C(N=C5)N)OCCO2

DOS

IR

Vibrations