Geometry & MOs

Info

ID:	43361
PubChem CID:	10321176
Reduced:	N5O6C21H25 (1)
Stoich.:	A5B6C21D25 (1)
Weight, g/mol:	443.170828
ΔH_f, kcal/mol:	-123.69
Dipole, Da:	3.18
IP(EA), eV:	-8.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S)-1-[6-[4-(trifluoromethyl)phenyl]pyridin-2-yl]pentoxy]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations