Geometry & MOs

Info

ID:	190274
PubChem CID:	77979756
Reduced:	FN2O2C23H29 (1)
Stoich.:	AB2C2D23E29 (1)
Weight, g/mol:	422.177899
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	3.88
IP(EA), eV:	-8.32(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-aminopiperidin-1-yl)pyrimidin-5-yl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine

Drug info:

PubChemData

Smile

CCOC(=O)C=C(CN1CCCCC1)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations