Geometry & MOs

Info

ID:	321476
PubChem CID:	126666115
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	408.098918
ΔH_f, kcal/mol:	1.93
Dipole, Da:	4.38
IP(EA), eV:	-9.48(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-[(4-chlorophenyl)methyl]-3-methyl-4-oxo-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1[C@@H](C(CC1OCC2=CC=CC=C2)N=[N+]=[N-])O

DOS

IR

Vibrations