Geometry & MOs

Info

ID:	217804
PubChem CID:	85088415
Reduced:	BrO5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	401.162508
ΔH_f, kcal/mol:	-124.49
Dipole, Da:	7.94
IP(EA), eV:	-8.38(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC#C)(C)Br

DOS

IR

Vibrations