Geometry & MOs

Info

ID:	439049
PubChem CID:	135228812
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	551.408693
ΔH_f, kcal/mol:	-39.42
Dipole, Da:	2.31
IP(EA), eV:	-8.34(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2E)-5-[4-[(Z)-1-amino-3-[2-(hexylamino)ethylimino]prop-1-en-2-yl]-5-ethyl-2-(2,3,3-trimethylbutyl)phenyl]-2-ethylidene-3-oxohex-4-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C=C)CC(C(C)(C)C)N

DOS

IR

Vibrations