Geometry & MOs

Info

ID:	363879
PubChem CID:	127313536
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-42.31
Dipole, Da:	8.68
IP(EA), eV:	-8.63(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)NC=C4

DOS

IR

Vibrations