Geometry & MOs

Info

ID:	221174
PubChem CID:	85257134
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	2.72
IP(EA), eV:	-8.85(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,9-dimethyldeca-2,4,8-trienoyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COCC1C2CN(CC(C1COC)O2)CC3=CC=CC=C3

DOS

IR

Vibrations