Geometry & MOs

Info

ID:	326408
PubChem CID:	126687488
Reduced:	N5C16H27 (1)
Stoich.:	A5B16C27 (1)
Weight, g/mol:	403.287515
ΔH_f, kcal/mol:	30.99
Dipole, Da:	5.55
IP(EA), eV:	-8.86(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-bis[(1Z)-buta-1,3-dienyl]-1-[4-(2-ethylhexoxy)phenyl]-2,5-dimethylpyrrole

Drug info:

PubChemData

Smile

CN1CC(NCC1C2=CC=C(C=C2)CN)C3CNCCN3

DOS

IR

Vibrations