Geometry & MOs

Info

ID:	353155
PubChem CID:	127284335
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	341.160023
ΔH_f, kcal/mol:	-0.26
Dipole, Da:	4.3
IP(EA), eV:	-9.3(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylbenzotriazol-5-yl)-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)OC(=C2)C(=O)N3CCN(CC3)CC4=NC(=NO4)C

DOS

IR

Vibrations