Geometry & MOs

Info

ID:	224826
PubChem CID:	85421766
Reduced:	NO6C23H35 (1)
Stoich.:	AB6C23D35 (1)
Weight, g/mol:	552.169496
ΔH_f, kcal/mol:	-242.37
Dipole, Da:	1.28
IP(EA), eV:	-8.28(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[[7-(2,4-dichlorophenyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-yl]amino]-4-ethoxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=CC=CCC2C(OC(O2)(C)C)C(C(CO)OCOC)N

DOS

IR

Vibrations