Geometry & MOs

Info

ID:	263678
PubChem CID:	103388656
Reduced:	FN2O4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	222.11907
ΔH_f, kcal/mol:	-228.56
Dipole, Da:	6.01
IP(EA), eV:	-8.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3,4-dihydro-2H-thiochromen-4-yl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC(CNC(=O)OC(C)(C)C)NC1=C(C=CC(=C1)C(=O)O)F

DOS

IR

Vibrations