Geometry & MOs

Info

ID:	266721
PubChem CID:	103579204
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	7.89
Dipole, Da:	3.52
IP(EA), eV:	-9.23(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-N-pent-1-yn-3-ylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations