Geometry & MOs

Info

ID:	266770
PubChem CID:	103579348
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	265.01023
ΔH_f, kcal/mol:	25.9
Dipole, Da:	3.89
IP(EA), eV:	-8.33(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CCCC1=CNC2=CC=CC=C21

DOS

IR

Vibrations