Geometry & MOs

Info

ID:	145020
PubChem CID:	53448768
Reduced:	SO5C15H18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-194.69
Dipole, Da:	2.22
IP(EA), eV:	-8.69(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-2-phenyl-5-(4-propoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)CSC(CC(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations