Geometry & MOs

Info

ID:	287914
PubChem CID:	104298593
Reduced:	N2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	3.39
Dipole, Da:	3.96
IP(EA), eV:	-9.53(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxybut-1-ynyl)-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=NC=C2)C)C#CCO

DOS

IR

Vibrations