Geometry & MOs

Info

ID:	321431
PubChem CID:	126666030
Reduced:	ClO2N5H14C18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	393.124405
ΔH_f, kcal/mol:	64.51
Dipole, Da:	3.6
IP(EA), eV:	-9.6(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(R)-(4-chlorophenyl)-phenylmethyl]-3,7-diethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CN=CN=C3)C(C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations