Geometry & MOs

Info

ID:	146441
PubChem CID:	53689923
Reduced:	NO2C14H29 (1)
Stoich.:	AB2C14D29 (1)
Weight, g/mol:	284.17763
ΔH_f, kcal/mol:	-145.87
Dipole, Da:	3.59
IP(EA), eV:	-9.67(2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,3,4-tetramethyl-5,6-dimethylidene-8,9-dihydro-7H-benzo[7]annulen-9-yl)acetic acid

Drug info:

PubChemData

Smile

CCC(C)[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O

DOS

IR

Vibrations