Geometry & MOs

Info

ID:	159039
PubChem CID:	57244627
Reduced:	OSN5H23C26 (1)
Stoich.:	ABC5D23E26 (1)
Weight, g/mol:	170.178299
ΔH_f, kcal/mol:	125.31
Dipole, Da:	4.63
IP(EA), eV:	-8.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(aminomethyl)cyclohexyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC(=C2C=C(C=CC2=N1)SC)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5

DOS

IR

Vibrations