Geometry & MOs

Info

ID:	204847
PubChem CID:	80017844
Reduced:	NSC18H31 (1)
Stoich.:	ABC18D31 (1)
Weight, g/mol:	200.13472
ΔH_f, kcal/mol:	-19.64
Dipole, Da:	2.55
IP(EA), eV:	-8.37(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanethiol

Drug info:

PubChemData

Smile

CCCC(CCC)(CN(CC)C1=CC=CC=C1C)CS

DOS

IR

Vibrations