Geometry & MOs

Info

ID:	291763
PubChem CID:	113474141
Reduced:	NOSC14H23 (1)
Stoich.:	ABCD14E23 (1)
Weight, g/mol:	255.176919
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	2.7
IP(EA), eV:	-8.45(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-ethylsulfanylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CCSCCC(CC1=CC=C(C=C1)OC)CN

DOS

IR

Vibrations