Geometry & MOs

Info

ID:	131077
PubChem CID:	51152243
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	360.12407
ΔH_f, kcal/mol:	-128.82
Dipole, Da:	5.8
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(4-chloro-3-methylphenoxy)butanoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)N)OC

DOS

IR

Vibrations