Geometry & MOs

Info

ID:	206322
PubChem CID:	80231399
Reduced:	BrClSN2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	277.161269
ΔH_f, kcal/mol:	44.69
Dipole, Da:	1.71
IP(EA), eV:	-8.97(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylthiophen-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CSC=C1C2=NC(=C(C(=N2)Cl)Br)C(C)(C)C

DOS

IR

Vibrations