Geometry & MOs

Info

ID:	30401
PubChem CID:	841255
Reduced:	BrNOSH10C12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	13.66
Dipole, Da:	2.77
IP(EA), eV:	-8.69(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethylanilino)-1-pyridin-3-ylpent-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations