Geometry & MOs

Info

ID:	147223
PubChem CID:	53786877
Reduced:	NO2C30H47 (1)
Stoich.:	AB2C30D47 (1)
Weight, g/mol:	332.246378
ΔH_f, kcal/mol:	-118.43
Dipole, Da:	4.45
IP(EA), eV:	-8.62(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-amino-4-(3-pyridin-3-ylprop-2-enyl)octanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)CCC(CCCCCC)O

DOS

IR

Vibrations