Geometry & MOs

Info

ID:	412171
PubChem CID:	135085045
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	173.095297
ΔH_f, kcal/mol:	-116.42
Dipole, Da:	3.51
IP(EA), eV:	-9.76(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylpyrrol-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CCC#CCC1(COC(OC1)(C)C)CC=O

DOS

IR

Vibrations