Geometry & MOs

Info

ID:	190193
PubChem CID:	77966190
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	650.371973
ΔH_f, kcal/mol:	-174.31
Dipole, Da:	1.99
IP(EA), eV:	-9.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[7-(4-tert-butylphenoxy)-1-(cyclopentylmethyl)isoquinoline-3-carbonyl]amino]-2-[4-(2-cyclopentylethoxy)cyclohexa-2,4-dien-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations