Geometry & MOs

Info

ID:	219458
PubChem CID:	85148702
Reduced:	O2N5F6C22H31 (1)
Stoich.:	A2B5C6D22E31 (1)
Weight, g/mol:	511.194106
ΔH_f, kcal/mol:	-417.02
Dipole, Da:	8.33
IP(EA), eV:	-8.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(2-methylcyclopropyl)methyl]pyrrolo[2,3-d]pyridazine;4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC(CCCNC(=O)N)C(=O)NCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations