Geometry & MOs

Info

ID:	199259
PubChem CID:	79224000
Reduced:	SN3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	247.114319
ΔH_f, kcal/mol:	63.5
Dipole, Da:	2.0
IP(EA), eV:	-8.57(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-(2-phenylsulfanylethyl)pyrazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CNCC1=NN(C=C1)CC2CC3=CC=CC=C3S2

DOS

IR

Vibrations