Geometry & MOs

Info

ID:	260511
PubChem CID:	103194193
Reduced:	BrO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	295.113233
ΔH_f, kcal/mol:	-62.92
Dipole, Da:	6.47
IP(EA), eV:	-9.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-4,5-difluorobenzoyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)C(=O)C3=C(C(=CC=C3)N)Br

DOS

IR

Vibrations