Geometry & MOs

Info

ID:	321416
PubChem CID:	126665977
Reduced:	F3O4N5C34H36 (1)
Stoich.:	A3B4C5D34E36 (1)
Weight, g/mol:	437.114234
ΔH_f, kcal/mol:	-218.18
Dipole, Da:	4.21
IP(EA), eV:	-9.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)methyl]-3-cyclopropyl-7-(2,5-dimethoxyphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCC1=CC=CC=C1)C2CC2(C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F)O

DOS

IR

Vibrations