Geometry & MOs

Info

ID:	230225
PubChem CID:	87570465
Reduced:	F2S2N3O7H19C25 (1)
Stoich.:	A2B2C3D7E19F25 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-229.7
Dipole, Da:	9.15
IP(EA), eV:	-9.55(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oct-7-ynoxyphenyl)methanamine

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(C(=O)NC3=NC4=C(S3)N=C(C=C4)OCC(=O)O)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations