Geometry & MOs

Info

ID:	348482
PubChem CID:	127273593
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	20.06
Dipole, Da:	6.89
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)CC(=O)N4CCCN5C4=CC=N5

DOS

IR

Vibrations