Geometry & MOs

Info

ID:	287902
PubChem CID:	104298098
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	-57.57
Dipole, Da:	2.24
IP(EA), eV:	-9.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxyprop-1-ynyl)-N,3-dimethyl-N-(thiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCNC(=O)C2)C#CCO

DOS

IR

Vibrations