Geometry & MOs

Info

ID:	305640
PubChem CID:	124963552
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	550.187064
ΔH_f, kcal/mol:	-21.72
Dipole, Da:	8.11
IP(EA), eV:	-8.9(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-chlorophenyl)methoxy]-3-[5-(2,3-dimethoxyphenyl)-1-[(2S)-2-hydroxybutyl]pyrazol-3-yl]phenyl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@@H]2CN3C=CN=C3CN2CC(=O)N4CCCC4

DOS

IR

Vibrations