Geometry & MOs

Info

ID:	128753
PubChem CID:	51057151
Reduced:	BN3O3C38H42 (1)
Stoich.:	AB3C3D38E42 (1)
Weight, g/mol:	268.101191
ΔH_f, kcal/mol:	26.78
Dipole, Da:	2.82
IP(EA), eV:	-8.04(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

Drug info:

PubChemData

Smile

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC(=CC(=[N+]1OC(=O)N2CCOCC2)C)N(C)C

DOS

IR

Vibrations