Geometry & MOs

Info

ID:	255261
PubChem CID:	103131004
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	309.106647
ΔH_f, kcal/mol:	57.82
Dipole, Da:	2.21
IP(EA), eV:	-8.45(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chlorophenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(C2=NN(C=C2)C)NC

DOS

IR

Vibrations