Geometry & MOs

Info

ID:	271927
PubChem CID:	103701587
Reduced:	NOSC11H15 (1)
Stoich.:	ABCD11E15 (1)
Weight, g/mol:	259.114319
ΔH_f, kcal/mol:	-26.13
Dipole, Da:	1.81
IP(EA), eV:	-8.64(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-pyrazol-1-ylphenyl)methyl]thiolan-3-amine

Drug info:

PubChemData

Smile

C1CSCC1NCC2=CC(=CC=C2)O

DOS

IR

Vibrations