Geometry & MOs

Info

ID:	187396
PubChem CID:	77568925
Reduced:	FN3O4C31H42 (1)
Stoich.:	AB3C4D31E42 (1)
Weight, g/mol:	368.098391
ΔH_f, kcal/mol:	-221.99
Dipole, Da:	8.67
IP(EA), eV:	-8.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-b]pyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)C2=C(C=CC=C2F)C(CCCNC(=O)O)(C3CCCN(C3)C(=O)CC4CCNCC4)O

DOS

IR

Vibrations