Geometry & MOs

Info

ID:	151287
PubChem CID:	53790987
Reduced:	F2N5O6C32H33 (1)
Stoich.:	A2B5C6D32E33 (1)
Weight, g/mol:	451.307789
ΔH_f, kcal/mol:	-193.95
Dipole, Da:	8.63
IP(EA), eV:	-8.52(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-(3-dodecoxypropyl)guanidine

Drug info:

PubChemData

Smile

CN1CC=NC1C2=C(C=CC(=C2)OC34CCC(CC3)C(C4)C(=O)OC)OC5=C(C(=NC=C5F)OC6=CC(=C(N)N)C=CC6=O)F

DOS

IR

Vibrations