Geometry & MOs

Info

ID:	217029
PubChem CID:	85087137
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-117.91
Dipole, Da:	3.5
IP(EA), eV:	-8.19(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-3-yl)-2-(2,2-dimethylpropanoylamino)acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(=O)C2C1(C3=C(CC2)C4=CC=CC=C4N3)C

DOS

IR

Vibrations