Geometry & MOs

Info

ID:	434472
PubChem CID:	135175015
Reduced:	NC11H25 (1)
Stoich.:	AB11C25 (1)
Weight, g/mol:	467.293663
ΔH_f, kcal/mol:	-52.03
Dipole, Da:	1.5
IP(EA), eV:	-8.82(3.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-N-but-3-yn-2-yl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[[[(3E,5E)-6-[(2E,4Z)-2-methylhepta-2,4,6-trienoxy]hepta-1,3,5-trien-3-yl]amino]methylidene]pyrrol-2-amine

Drug info:

PubChemData

Smile

CC(C)C(C)CCC(C)(C)NC

DOS

IR

Vibrations