Geometry & MOs

Info

ID:	186479
PubChem CID:	77438845
Reduced:	N7C23H29 (1)
Stoich.:	A7B23C29 (1)
Weight, g/mol:	400.218701
ΔH_f, kcal/mol:	102.28
Dipole, Da:	5.0
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[5-(2,6-difluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrazin-2-yl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

C1CC2C(CC1C3=CC=CC(=C3)C#N)C(NN2)C4=CN=CC(=N4)N5CCC(CC5)N

DOS

IR

Vibrations