Geometry & MOs

Info

ID:	202768
PubChem CID:	79722995
Reduced:	BrFN2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	343.93857
ΔH_f, kcal/mol:	-40.24
Dipole, Da:	1.49
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-bromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2(CCCC2)C(C3=C(C=CC(=C3)Br)F)N

DOS

IR

Vibrations