Geometry & MOs

Info

ID:	379072
PubChem CID:	134352250
Reduced:	NO2F3H8C16 (1)
Stoich.:	AB2C3D8E16 (1)
Weight, g/mol:	330.045213
ΔH_f, kcal/mol:	-137.16
Dipole, Da:	5.04
IP(EA), eV:	-8.57(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,11-difluoro-15-methyl-5-nitro-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-14-one

Drug info:

PubChemData

Smile

CC1=CN2C3=C(C=C(C=C3)F)OC4=C2C(=CC(=C4F)F)C1=O

DOS

IR

Vibrations