Geometry & MOs

Info

ID:	351736
PubChem CID:	127282136
Reduced:	O2N7C20H27 (1)
Stoich.:	A2B7C20D27 (1)
Weight, g/mol:	385.222623
ΔH_f, kcal/mol:	6.23
Dipole, Da:	9.96
IP(EA), eV:	-9.35(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=CC=CC=C3N4C=NN=N4

DOS

IR

Vibrations