Geometry & MOs

Info

ID:	430942
PubChem CID:	135171012
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	470.15426
ΔH_f, kcal/mol:	14.68
Dipole, Da:	2.73
IP(EA), eV:	-8.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-N-ethyl-3-ethylidene-N-[3-[[(2E)-2-[(iodoamino)methylidene]butyl]amino]cyclohex-3-en-1-yl]-1,2-dihydropyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@@H](C1)NCC2=CN=CC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations