Geometry & MOs

Info

ID:	382043
PubChem CID:	134972950
Reduced:	O3C4H7 (2)
Stoich.:	A3B4C7 (2)
Weight, g/mol:	249.126598
ΔH_f, kcal/mol:	-275.22
Dipole, Da:	3.98
IP(EA), eV:	-10.31(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrol-1-yl)-2-pyridin-2-ylpyridine

Drug info:

PubChemData

Smile

CC1OCC2C(O1)[C@@H](C(C(O2)O)O)O

DOS

IR

Vibrations