Geometry & MOs

Info

ID:	266700
PubChem CID:	103579126
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	257.041898
ΔH_f, kcal/mol:	16.84
Dipole, Da:	2.64
IP(EA), eV:	-9.95(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2,5-difluoro-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations