Geometry & MOs

Info

ID:	208234
PubChem CID:	80507307
Reduced:	OSN6C13H20 (1)
Stoich.:	ABC6D13E20 (1)
Weight, g/mol:	201.184112
ΔH_f, kcal/mol:	19.61
Dipole, Da:	7.04
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-ethoxyethyl)-4-methylpiperazin-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)SC(=N2)CN3CCN(CC3CN)C

DOS

IR

Vibrations