Geometry & MOs

Info

ID:	180052
PubChem CID:	76570460
Reduced:	OF3N4C23H33 (1)
Stoich.:	AB3C4D23E33 (1)
Weight, g/mol:	498.222011
ΔH_f, kcal/mol:	-201.45
Dipole, Da:	4.3
IP(EA), eV:	-8.85(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-chlorophenyl)pentan-3-yl]-7,7-dimethyl-2-methylsulfanyl-5-phenyl-2,3,5,6-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CCC(F)(F)F)NC(=O)C1CNN2C1=NC(CC2(C)C)C3=CC=CC=C3

DOS

IR

Vibrations