Geometry & MOs

Info

ID:	288205
PubChem CID:	104313510
Reduced:	BrN2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	361.8911
ΔH_f, kcal/mol:	25.88
Dipole, Da:	2.96
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(4-bromothiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CC(C2=C(C=CC=N2)Br)N)C

DOS

IR

Vibrations