Geometry & MOs

Info

ID:	180065
PubChem CID:	76570632
Reduced:	O2F3N6C19H21 (1)
Stoich.:	A2B3C6D19E21 (1)
Weight, g/mol:	354.241962
ΔH_f, kcal/mol:	-166.9
Dipole, Da:	1.62
IP(EA), eV:	-8.77(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-7-methyl-5-phenyl-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C(N=C2C(CNN2C1C(F)(F)F)C(=O)NCCN3C=CNC3=O)C4=CC=CC=C4

DOS

IR

Vibrations