Geometry & MOs

Info

ID:	267342
PubChem CID:	103581917
Reduced:	BrN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	207.045092
ΔH_f, kcal/mol:	28.58
Dipole, Da:	5.03
IP(EA), eV:	-8.12(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-methyl-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=CNC=C2

DOS

IR

Vibrations