Geometry & MOs

Info

ID:	144074
PubChem CID:	53307324
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	3.81
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-tert-butyl-7-(3,4-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]pentanoic acid

Drug info:

PubChemData

Smile

CCCC(C1=C(N2C(=CC(=N2)C(C)(C)C)N=C1C)C3=CC=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations