Geometry & MOs

Info

ID:	348483
PubChem CID:	127273594
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-41.25
Dipole, Da:	5.59
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCCN4C3=CC=N4

DOS

IR

Vibrations