Geometry & MOs

Info

ID:	306068
PubChem CID:	125001530
Reduced:	O2N5C14H23 (1)
Stoich.:	A2B5C14D23 (1)
Weight, g/mol:	370.10842
ΔH_f, kcal/mol:	-46.98
Dipole, Da:	3.93
IP(EA), eV:	-8.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-chlorophenyl)-1-[(2S)-2-hydroxybutyl]pyrazol-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CN(C)CC(=O)N(C)C[C@]1(CCN(C1)C2=NC=CC=N2)O

DOS

IR

Vibrations