Geometry & MOs

Info

ID:	374383
PubChem CID:	131327783
Reduced:	BrN2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	200.986053
ΔH_f, kcal/mol:	47.63
Dipole, Da:	5.93
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-7-methylpyrrolo[2,1-f][1,2,4]triazine

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(N1)C=C(C=C2Br)C#N

DOS

IR

Vibrations