Geometry & MOs

Info

ID:	176222
PubChem CID:	76012993
Reduced:	N6O7C34H54 (1)
Stoich.:	A6B7C34D54 (1)
Weight, g/mol:	419.09569
ΔH_f, kcal/mol:	-324.95
Dipole, Da:	6.27
IP(EA), eV:	-9.44(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-bromophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-cyclopentylacetamide

Drug info:

PubChemData

Smile

CCCCCCC=CCCCCCCCCOC(=O)OCN1C=C(N=C1)CC(C(=O)N2CCCC2C(=O)N)NC(=O)C3CCC(=O)N3

DOS

IR

Vibrations