Geometry & MOs

Info

ID:	180059
PubChem CID:	76570626
Reduced:	ClON5C25H32 (1)
Stoich.:	ABC5D25E32 (1)
Weight, g/mol:	437.20386
ΔH_f, kcal/mol:	5.72
Dipole, Da:	6.59
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-phenyl-7-(trifluoromethyl)-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(C1=CN=C(C=C1)Cl)NC(=O)C2CNN3C2=NC(CC3(C)C)C4=CC=CC=C4

DOS

IR

Vibrations