Geometry & MOs

Info

ID:	254638
PubChem CID:	103126672
Reduced:	BrSN4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	363.04048
ΔH_f, kcal/mol:	101.79
Dipole, Da:	3.79
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations