Geometry & MOs

Info

ID:	320446
PubChem CID:	126661046
Reduced:	FON2C22H25 (1)
Stoich.:	ABC2D22E25 (1)
Weight, g/mol:	387.099475
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	5.49
IP(EA), eV:	-8.25(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(1,1-difluoroethyl)-6-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1/C(=C/2\CCCNC2=O)/C)F)C3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations