Geometry & MOs

Info

ID:	203826
PubChem CID:	79875656
Reduced:	F3N4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	335.94942
ΔH_f, kcal/mol:	-102.09
Dipole, Da:	1.72
IP(EA), eV:	-8.72(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-nitrophenyl)-2,4-dioxopyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1(CN(CCN1C)C2=C(C=CC(=N2)C(F)(F)F)C#N)C

DOS

IR

Vibrations