Geometry & MOs

Info

ID:	275797
PubChem CID:	103817834
Reduced:	BrNOSC12H12 (1)
Stoich.:	ABCDE12F12 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	19.5
Dipole, Da:	2.48
IP(EA), eV:	-8.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-N-[(1-propylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)NCC2=C(C=CO2)Br

DOS

IR

Vibrations