Geometry & MOs

Info

ID:	439029
PubChem CID:	135228792
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	402.186732
ΔH_f, kcal/mol:	-34.51
Dipole, Da:	9.87
IP(EA), eV:	-9.14(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-difluoro-1-[4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=O)C=C3C2=C1)C(=O)C)C(C)C)/C(=C/N)/C=N

DOS

IR

Vibrations