Geometry & MOs

Info

ID:	223348
PubChem CID:	85334897
Reduced:	BrClC5H8 (1)
Stoich.:	ABC5D8 (1)
Weight, g/mol:	188.069811
ΔH_f, kcal/mol:	-14.26
Dipole, Da:	2.86
IP(EA), eV:	-9.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-oxo-4a,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbonitrile

Drug info:

PubChemData

Smile

CC(=CCCl)CBr

DOS

IR

Vibrations