Geometry & MOs

Info

ID:	175354
PubChem CID:	75886820
Reduced:	N2O7C24H28 (1)
Stoich.:	A2B7C24D28 (1)
Weight, g/mol:	416.18667
ΔH_f, kcal/mol:	-226.24
Dipole, Da:	1.97
IP(EA), eV:	-8.34(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-4-[[4-(4-chloro-3-methylphenoxy)butanoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NCCOC3=CC4=C(C=C3)OCO4)OC

DOS

IR

Vibrations