Geometry & MOs

Info

ID:	165246
PubChem CID:	74521092
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	376.202502
ΔH_f, kcal/mol:	-127.45
Dipole, Da:	5.2
IP(EA), eV:	-8.92(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C=CC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations