Geometry & MOs

Info

ID:	435289
PubChem CID:	135187871
Reduced:	N3F4H13C21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	352.169939
ΔH_f, kcal/mol:	-43.97
Dipole, Da:	1.47
IP(EA), eV:	-9.19(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-cyclopropyl-6-fluoroindol-2-yl)-N-(oxan-4-yl)pyridazin-3-amine

Drug info:

PubChemData

Smile

C1CC1N2C(=CC3=CC(=C(C=C32)F)F)C4=CC(=NN=C4)C5=CC(=C(C=C5)F)F

DOS

IR

Vibrations