Geometry & MOs

Info

ID:	266740
PubChem CID:	103579256
Reduced:	NO2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	295.02079
ΔH_f, kcal/mol:	-49.75
Dipole, Da:	2.64
IP(EA), eV:	-9.77(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-methoxy-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1CCCO1

DOS

IR

Vibrations