Geometry & MOs

Info

ID:	413169
PubChem CID:	135086114
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	327.01201
ΔH_f, kcal/mol:	-99.36
Dipole, Da:	4.14
IP(EA), eV:	-8.37(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-(2-iodophenyl)prop-2-ynamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC#CCCC(=O)CO

DOS

IR

Vibrations