Geometry & MOs

Info

ID:	381510
PubChem CID:	134972268
Reduced:	IO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	368.152478
ΔH_f, kcal/mol:	-41.78
Dipole, Da:	5.04
IP(EA), eV:	-9.55(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-1-[4-[4-(4-nitrophenyl)phenyl]phenyl]pyrrole

Drug info:

PubChemData

Smile

C1CCC2=C(C1)/C(=C\I)/OC2=O

DOS

IR

Vibrations