Geometry & MOs

Info

ID:	417409
PubChem CID:	135093404
Reduced:	ClON6C15H19 (1)
Stoich.:	ABC6D15E19 (1)
Weight, g/mol:	390.206719
ΔH_f, kcal/mol:	27.97
Dipole, Da:	6.78
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)CN2CCCN(CC2)C(=O)C3=CC(=CN=C3)Cl

DOS

IR

Vibrations