Geometry & MOs

Info

ID:	448991
PubChem CID:	135295019
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	420.294077
ΔH_f, kcal/mol:	-74.76
Dipole, Da:	9.8
IP(EA), eV:	-8.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5E)-5-[(2E)-3-ethyl-2-ethylidene-4-methylpent-3-enylidene]-1-[(1-fluorocyclohexyl)methyl]-4-methylidenepyrrol-3-yl]aniline

Drug info:

PubChemData

Smile

C/C(=C(\C1=CC2=C(C(=CN2CC3CCCCC3)C4=CC5=C(CC(=O)O5)C=C4)N=C1)/C(=O)C)/N

DOS

IR

Vibrations