Geometry & MOs

Info

ID:	287920
PubChem CID:	104298833
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	17.59
Dipole, Da:	3.2
IP(EA), eV:	-9.13(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-aminoprop-1-ynyl)-N-(2-butoxyethyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)C2=CC(=C(C=C2)C#CCN)C

DOS

IR

Vibrations