Geometry & MOs

Info

ID:	166401
PubChem CID:	74683728
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	462.187875
ΔH_f, kcal/mol:	-122.27
Dipole, Da:	5.51
IP(EA), eV:	-9.05(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(=O)CCN1C(=O)C2C=C3C(=CC2=NC1=S)OCO3

DOS

IR

Vibrations