Geometry & MOs

Info

ID:	361689
PubChem CID:	127304404
Reduced:	O3N7C18H27 (1)
Stoich.:	A3B7C18D27 (1)
Weight, g/mol:	395.206973
ΔH_f, kcal/mol:	-29.01
Dipole, Da:	3.45
IP(EA), eV:	-9.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CN(C)C(=O)C(C)N3C=CC=N3

DOS

IR

Vibrations