Geometry & MOs

Info

ID:	291176
PubChem CID:	111685064
Reduced:	FON4C18H31 (1)
Stoich.:	ABC4D18E31 (1)
Weight, g/mol:	377.068879
ΔH_f, kcal/mol:	-65.01
Dipole, Da:	2.0
IP(EA), eV:	-8.51(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloropyridin-3-yl)methyl]-2-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine

Drug info:

PubChemData

Smile

CCN(CC)C(C)CNC(=NC)NCC(C)OC1=CC=CC=C1F

DOS

IR

Vibrations