Geometry & MOs

Info

ID:	448050
PubChem CID:	135287988
Reduced:	N9H19C21 (1)
Stoich.:	A9B19C21 (1)
Weight, g/mol:	389.145202
ΔH_f, kcal/mol:	207.29
Dipole, Da:	8.0
IP(EA), eV:	-8.21(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1S,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CN=C6)NN4)/N=C32

DOS

IR

Vibrations