Geometry & MOs

Info

ID:	146596
PubChem CID:	53712150
Reduced:	F3N4O4C22H25 (1)
Stoich.:	A3B4C4D22E25 (1)
Weight, g/mol:	463.283492
ΔH_f, kcal/mol:	-210.07
Dipole, Da:	3.02
IP(EA), eV:	-9.14(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-2-(5-methyl-1H-pyrrol-2-yl)-5-[(5-undec-10-enylidenepyrrol-2-ylidene)methyl]-1H-pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCCCC2=NN=C(C=C2)C3(OCCO3)C)C)N4C=NC(O4)C(F)(F)F

DOS

IR

Vibrations