Geometry & MOs

Info

ID:	403044
PubChem CID:	135058507
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	292.121178
ΔH_f, kcal/mol:	-107.21
Dipole, Da:	3.99
IP(EA), eV:	-9.22(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1-methyl-4-(4-nitrophenyl)pyrrole

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=CC=C1OCOC)C2=CC=CC=N2

DOS

IR

Vibrations