Geometry & MOs

Info

ID:	365409
PubChem CID:	127317808
Reduced:	ON6C14H24 (1)
Stoich.:	AB6C14D24 (1)
Weight, g/mol:	304.201159
ΔH_f, kcal/mol:	1.57
Dipole, Da:	5.01
IP(EA), eV:	-9.0(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations