Geometry & MOs

Info

ID:	172111
PubChem CID:	75468737
Reduced:	IOSN5C16H24 (1)
Stoich.:	ABCD5E16F24 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	9.63
Dipole, Da:	3.71
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-2-[(6-methoxypyridin-2-yl)methyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=NC(=CC=C1)OC)NCC2=C(N=C(S2)C)C.I

DOS

IR

Vibrations