Geometry & MOs

Info

ID:	254640
PubChem CID:	103126679
Reduced:	BrSN3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	335.00918
ΔH_f, kcal/mol:	87.42
Dipole, Da:	4.53
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)-1-(1-methylindazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CCCNC(CC1=CC=C(S1)Br)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations