Geometry & MOs

Info

ID:	372552
PubChem CID:	131299598
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	218.051384
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	8.07
IP(EA), eV:	-8.9(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylsulfanyl-1H-pyrrol-2-yl)-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)OC)C(=O)C#N

DOS

IR

Vibrations