Geometry & MOs

Info

ID:	362236
PubChem CID:	127307249
Reduced:	ClON5C16H18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	33.94
Dipole, Da:	9.91
IP(EA), eV:	-9.05(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N2CCN3C(=NN=C3C4CC4)C2)Cl

DOS

IR

Vibrations