Geometry & MOs

Info

ID:	171395
PubChem CID:	75371776
Reduced:	FSO2N3C17H20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	349.295394
ΔH_f, kcal/mol:	-102.72
Dipole, Da:	7.14
IP(EA), eV:	-8.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-[(1-methylpyrazol-4-yl)methyl]guanidine

Drug info:

PubChemData

Smile

CC(C(=O)N1CCSCC1)NC(=O)CC2=CNC3=C2C=C(C=C3)F

DOS

IR

Vibrations