Geometry & MOs

Info

ID:	445562
PubChem CID:	135268084
Reduced:	NC12H23 (1)
Stoich.:	AB12C23 (1)
Weight, g/mol:	173.070145
ΔH_f, kcal/mol:	-8.33
Dipole, Da:	2.03
IP(EA), eV:	-8.93(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CCCC(=C)CCC(C(=C)C)NC

DOS

IR

Vibrations