Geometry & MOs

Info

ID:	333766
PubChem CID:	127252318
Reduced:	O2F3N6C21H23 (1)
Stoich.:	A2B3C6D21E23 (1)
Weight, g/mol:	443.193295
ΔH_f, kcal/mol:	-148.32
Dipole, Da:	4.16
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-6-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]pyridazin-3-amine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C3=NC=NC(=C3)N)CCOC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations