Geometry & MOs

Info

ID:	367541
PubChem CID:	127324909
Reduced:	OSN5C18H31 (1)
Stoich.:	ABC5D18E31 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-25.64
Dipole, Da:	3.98
IP(EA), eV:	-8.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CSC3=NN=CN3C(C)C

DOS

IR

Vibrations