Geometry & MOs

Info

ID:	255260
PubChem CID:	103130975
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	49.08
Dipole, Da:	3.51
IP(EA), eV:	-9.0(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2CCC3=CC=CC=C3C2)N

DOS

IR

Vibrations