Geometry & MOs

Info

ID:	449316
PubChem CID:	135297573
Reduced:	F2O2N5H21C25 (1)
Stoich.:	A2B2C5D21E25 (1)
Weight, g/mol:	377.145202
ΔH_f, kcal/mol:	-16.43
Dipole, Da:	4.61
IP(EA), eV:	-9.5(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(8R)-3-(2,6-difluorophenyl)-5,8-dimethyl-6,7-dihydro-5H-cinnolin-8-yl]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC[C@@H](C1=COC(=N1)C2=CN=CC(=N2)[C@]34CC[C@H](C3)C5=CC(=NN=C45)C6=C(C=CC=C6F)F)O

DOS

IR

Vibrations