Geometry & MOs

Info

ID:	39269
PubChem CID:	8140021
Reduced:	NSO6C21H29 (1)
Stoich.:	ABC6D21E29 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-253.33
Dipole, Da:	6.77
IP(EA), eV:	-8.94(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-ethylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C3CCCC3)C

DOS

IR

Vibrations