Geometry & MOs

Info

ID:	295587
PubChem CID:	117535478
Reduced:	ON2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	196.100048
ΔH_f, kcal/mol:	30.65
Dipole, Da:	7.35
IP(EA), eV:	-8.71(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)-1H-pyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2=CNC=C2C#N

DOS

IR

Vibrations