Geometry & MOs

Info

ID:	398006
PubChem CID:	135031330
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	211.1361
ΔH_f, kcal/mol:	-44.4
Dipole, Da:	3.23
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pent-4-enyl-2-phenylpyrrole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(C=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations