Geometry & MOs

Info

ID:	387898
PubChem CID:	134987320
Reduced:	SSeC16H16 (1)
Stoich.:	ABC16D16 (1)
Weight, g/mol:	190.99458
ΔH_f, kcal/mol:	67.4
Dipole, Da:	2.69
IP(EA), eV:	-8.32(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-bromo-4-(dimethylamino)but-3-en-2-one

Drug info:

PubChemData

Smile

CC[Se]/C(=C\C1=CC=CC=C1)/SC2=CC=CC=C2

DOS

IR

Vibrations