Geometry & MOs

Info

ID:	363818
PubChem CID:	127313475
Reduced:	O2N3C22H35 (1)
Stoich.:	A2B3C22D35 (1)
Weight, g/mol:	371.206973
ΔH_f, kcal/mol:	-114.92
Dipole, Da:	7.11
IP(EA), eV:	-8.65(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3C4CC5CC(C4)CC3C5

DOS

IR

Vibrations