Geometry & MOs

Info

ID:	400071
PubChem CID:	135045028
Reduced:	BrOSN5C10H12 (1)
Stoich.:	ABCD5E10F12 (1)
Weight, g/mol:	306.97634
ΔH_f, kcal/mol:	11.19
Dipole, Da:	4.18
IP(EA), eV:	-8.84(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[1-(3-chlorophenyl)ethenyl]aniline

Drug info:

PubChemData

Smile

CC(=O)N(C)CN1C=NC2=C1N=C(N=C2SC)Br

DOS

IR

Vibrations