Geometry & MOs

Info

ID:	38325
PubChem CID:	8030462
Reduced:	N2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	311.210996
ΔH_f, kcal/mol:	69.63
Dipole, Da:	0.25
IP(EA), eV:	-9.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-(4-amino-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC[C@](C)(C#N)N=N[C@](C)(CC)C#N

DOS

IR

Vibrations