Geometry & MOs

Info

ID:	296350
PubChem CID:	117569613
Reduced:	ClNSC8H10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	199.168462
ΔH_f, kcal/mol:	5.91
Dipole, Da:	1.17
IP(EA), eV:	-8.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-2-yl)-N-(piperazin-1-ylmethyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NCS

DOS

IR

Vibrations