Geometry & MOs

Info

ID:	367668
PubChem CID:	127325211
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	45.45
Dipole, Da:	3.08
IP(EA), eV:	-8.7(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopropylpiperazin-1-yl)-[3-(1,2,4-triazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN(N=C2)C)C(=O)N3CCN(CC3)C4CC4

DOS

IR

Vibrations