Geometry & MOs

Info

ID:	287918
PubChem CID:	104298779
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	4.91
IP(EA), eV:	-9.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-aminoprop-1-ynyl)-N-(1,4-dioxan-2-ylmethyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC(C2)CO)C#CCN

DOS

IR

Vibrations