Geometry & MOs

Info

ID:	144608
PubChem CID:	53388070
Reduced:	NC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	223.1361
ΔH_f, kcal/mol:	84.87
Dipole, Da:	2.34
IP(EA), eV:	-8.68(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,3-dimethylbut-1-ynyl)phenyl]pyrrole

Drug info:

PubChemData

Smile

CCCCC#CC1=CC=CC=C1N2C=CC=C2

DOS

IR

Vibrations