Geometry & MOs

Info

ID:	127868
PubChem CID:	51020351
Reduced:	OC10H12 (1)
Stoich.:	AB10C12 (1)
Weight, g/mol:	361.087412
ΔH_f, kcal/mol:	17.45
Dipole, Da:	3.39
IP(EA), eV:	-9.77(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-10-(2,4-difluorophenyl)-9-methyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

Drug info:

PubChemData

Smile

CC(=O)C1[C@H]2[C@H]1[C@H]3C[C@@H]2C=C3

DOS

IR

Vibrations