Geometry & MOs

Info

ID:	31818
PubChem CID:	3719648
Reduced:	SN3O4H15C22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	504.217971
ΔH_f, kcal/mol:	-5.43
Dipole, Da:	2.66
IP(EA), eV:	-9.0(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-2-(4-ethoxyphenyl)-5-(4-hexoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

Drug info:

PubChemData

Smile

CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations