Geometry & MOs

Info

ID:	163918
PubChem CID:	74380803
Reduced:	ClF2O6C20H21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	360.173231
ΔH_f, kcal/mol:	-331.89
Dipole, Da:	3.26
IP(EA), eV:	-9.23(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methoxyindol-3-ylidene)methylamino]-2-pentylguanidine;thiocyanic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)F)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl)F

DOS

IR

Vibrations