Geometry & MOs

Info

ID:	199265
PubChem CID:	79224613
Reduced:	ClOSC14H17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	275.145619
ΔH_f, kcal/mol:	-47.07
Dipole, Da:	2.6
IP(EA), eV:	-8.55(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC1(CC2CC3=CC=CC=C3S2)CCl

DOS

IR

Vibrations