Geometry & MOs

Info

ID:	266737
PubChem CID:	103579247
Reduced:	ON4C10H14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	344.91869
ΔH_f, kcal/mol:	40.2
Dipole, Da:	2.02
IP(EA), eV:	-9.1(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibromo-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(N(N=C1)C)N

DOS

IR

Vibrations