Geometry & MOs

Info

ID:	77039
PubChem CID:	48425738
Reduced:	O3N4C15H26 (1)
Stoich.:	A3B4C15D26 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-110.18
Dipole, Da:	3.92
IP(EA), eV:	-9.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyano-2-methoxyphenoxy)-N-[2-(diethylamino)-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCC1=NC(=NO1)C(C)(C)C

DOS

IR

Vibrations