Geometry & MOs

Info

ID:	266771
PubChem CID:	103579349
Reduced:	BrNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	312.99636
ΔH_f, kcal/mol:	29.58
Dipole, Da:	4.3
IP(EA), eV:	-9.92(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations