Geometry & MOs

Info

ID:	438691
PubChem CID:	135228442
Reduced:	FNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	483.368559
ΔH_f, kcal/mol:	-197.25
Dipole, Da:	2.2
IP(EA), eV:	-9.27(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-[[1-[1-[(4Z,6Z)-3-ethylocta-4,6-dienyl]tetrazol-5-yl]-3-(methylamino)but-3-enyl]-[2-(methylamino)ethyl]amino]octa-5,7-dien-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1O)CO)O)C(=O)N2CC3=C(C2)C=C(C=C3)F

DOS

IR

Vibrations