Geometry & MOs

Info

ID:	311061
PubChem CID:	126589027
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	317.118257
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	2.76
IP(EA), eV:	-8.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-chloro-4-ethylphenoxy)methyl]phenyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)OCC)NC(=S)OC)C

DOS

IR

Vibrations