Geometry & MOs

Info

ID:	321411
PubChem CID:	126665971
Reduced:	OF3N7H22C26 (1)
Stoich.:	AB3C7D22E26 (1)
Weight, g/mol:	422.114568
ΔH_f, kcal/mol:	3.42
Dipole, Da:	1.36
IP(EA), eV:	-9.18(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CNN2C=C(C=N2)CC3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)C#N)C(F)(F)F

DOS

IR

Vibrations