Geometry & MOs

Info

ID:	201880
PubChem CID:	79596213
Reduced:	BrSN3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	299.00918
ΔH_f, kcal/mol:	77.97
Dipole, Da:	2.48
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CNC(C1=NN(C=C1)C)C2=CSC=C2Br

DOS

IR

Vibrations