Geometry & MOs

Info

ID:	289486
PubChem CID:	104357693
Reduced:	BrClNOC15H19 (1)
Stoich.:	ABCDE15F19 (1)
Weight, g/mol:	284.9556
ΔH_f, kcal/mol:	-54.02
Dipole, Da:	3.52
IP(EA), eV:	-9.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-chloro-N-methyl-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

CC1(CCCCC1NC(=O)C2=C(C(=CC=C2)Br)Cl)C

DOS

IR

Vibrations