Geometry & MOs

Info

ID:	256641
PubChem CID:	103140414
Reduced:	Cl2N4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	88.92
Dipole, Da:	2.63
IP(EA), eV:	-9.39(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C=C(C=N3)Cl)Cl)NN

DOS

IR

Vibrations