Geometry & MOs

Info

ID:	148647
PubChem CID:	53788315
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	517.257671
ΔH_f, kcal/mol:	-116.14
Dipole, Da:	7.15
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-2-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]propoxy]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=CC(=O)NC2=CC=CC=C2CCC(=O)O

DOS

IR

Vibrations