Geometry & MOs

Info

ID:	438846
PubChem CID:	135228604
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	509.325357
ΔH_f, kcal/mol:	-92.65
Dipole, Da:	2.76
IP(EA), eV:	-8.42(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2E)-5-[4-[(Z)-1-amino-3-piperidin-4-yliminoprop-1-en-2-yl]-5-methoxy-2-(2,3,3-trimethylbutyl)phenyl]-2-ethylidene-3-oxohex-4-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC(C(C)(C)C)NC=O)OC

DOS

IR

Vibrations