Geometry & MOs

Info

ID:	354468
PubChem CID:	127287017
Reduced:	ON7C18H33 (1)
Stoich.:	AB7C18D33 (1)
Weight, g/mol:	278.185509
ΔH_f, kcal/mol:	-16.76
Dipole, Da:	4.72
IP(EA), eV:	-8.56(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1CCN2CCN(CC2)C(=O)NC(C)CN3C=NC=N3)C

DOS

IR

Vibrations