Geometry & MOs

Info

ID:	31777
PubChem CID:	3718054
Reduced:	N3O3H11C13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	394.03169
ΔH_f, kcal/mol:	25.2
Dipole, Da:	2.38
IP(EA), eV:	-9.43(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-bromo-2-(furan-2-yl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NNC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations