Geometry & MOs

Info

ID:	126607
PubChem CID:	50969791
Reduced:	ON7C18H23 (1)
Stoich.:	AB7C18D23 (1)
Weight, g/mol:	328.147016
ΔH_f, kcal/mol:	51.19
Dipole, Da:	1.68
IP(EA), eV:	-8.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methylpyrazol-3-yl)propyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)CNC(=O)C3=CN(N=N3)CC4CCCNC4

DOS

IR

Vibrations