Geometry & MOs

Info

ID:	290648
PubChem CID:	109814301
Reduced:	O2N3C20H33 (1)
Stoich.:	A2B3C20D33 (1)
Weight, g/mol:	493.13723
ΔH_f, kcal/mol:	-88.78
Dipole, Da:	4.36
IP(EA), eV:	-9.03(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CCNC(=NC)NCC2(CCOC2)CCO)C

DOS

IR

Vibrations