Geometry & MOs

Info

ID:	351757
PubChem CID:	127282157
Reduced:	O2N3C21H35 (1)
Stoich.:	A2B3C21D35 (1)
Weight, g/mol:	399.238273
ΔH_f, kcal/mol:	-118.53
Dipole, Da:	5.38
IP(EA), eV:	-8.96(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(5,7-dimethyl-[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)CC3CC4CCC3C4

DOS

IR

Vibrations