Geometry & MOs

Info

ID:	279155
PubChem CID:	103841722
Reduced:	BrClON3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	315.00255
ΔH_f, kcal/mol:	-5.73
Dipole, Da:	2.76
IP(EA), eV:	-8.72(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-propan-2-yl-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations