Geometry & MOs

Info

ID:	328417
PubChem CID:	126722954
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	8.13
IP(EA), eV:	-9.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(4-methyl-2-propan-2-yloxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOC1=C(C=CC(=C1)C)COC2=CC=NN2C3=NC=CC(=C3)C(=O)O

DOS

IR

Vibrations