Geometry & MOs

Info

ID:	144076
PubChem CID:	53307381
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	413.187005
ΔH_f, kcal/mol:	17.6
Dipole, Da:	2.08
IP(EA), eV:	-9.14(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCN=CC1=CC=C(C=C1)OCC(=O)N

DOS

IR

Vibrations