Geometry & MOs

Info

ID:	430031
PubChem CID:	135170088
Reduced:	ON5H13C20 (1)
Stoich.:	AB5C13D20 (1)
Weight, g/mol:	199.0667
ΔH_f, kcal/mol:	106.97
Dipole, Da:	4.24
IP(EA), eV:	-8.77(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxysulfanyloxyphenyl)methanamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC3(N2)C=NC4=C(O3)C5=C(C6=C4C=CC=N6)N=CC=C5

DOS

IR

Vibrations