Geometry & MOs

Info

ID:	424082
PubChem CID:	135121264
Reduced:	FON5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	429.177645
ΔH_f, kcal/mol:	17.88
Dipole, Da:	3.67
IP(EA), eV:	-8.59(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[8-pyrazolidin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

C1CNNC1C2=NC=CC3=C2N=C(C=C3C4=CC(=CC=C4)F)N5CCOCC5

DOS

IR

Vibrations