Geometry & MOs

Info

ID:	207750
PubChem CID:	80444389
Reduced:	SN4C16H32 (1)
Stoich.:	AB4C16D32 (1)
Weight, g/mol:	255.267448
ΔH_f, kcal/mol:	-11.99
Dipole, Da:	4.58
IP(EA), eV:	-8.25(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethyl-3-methylpiperazin-1-yl)-3-methyl-N-propylbutan-2-amine

Drug info:

PubChemData

Smile

CCC(C)C1=C(SC(=N1)N(CCN(C)C)CC(C)C)CN

DOS

IR

Vibrations