Geometry & MOs

Info

ID:	193874
PubChem CID:	78450107
Reduced:	NO4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	-146.29
Dipole, Da:	4.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.054060
Charge, e:	0

Chem-info

IUPAC name:

2-[[7-[1-(cyclopentylamino)-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1CCC(C2)C(C)C(=O)NC3CCCC3)C)OCC(=O)[O-]

DOS

IR

Vibrations