Geometry & MOs

Info

ID:	190159
PubChem CID:	77959948
Reduced:	O3C29H46 (1)
Stoich.:	A3B29C46 (1)
Weight, g/mol:	429.194008
ΔH_f, kcal/mol:	-188.29
Dipole, Da:	6.26
IP(EA), eV:	-9.19(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[[acetyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylphenoxy]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1CCCC2(C1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C(=O)O)O)C)C

DOS

IR

Vibrations