Geometry & MOs

Info

ID:	255997
PubChem CID:	103136182
Reduced:	SN4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	198.173213
ΔH_f, kcal/mol:	101.98
Dipole, Da:	5.18
IP(EA), eV:	-9.49(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations