Geometry & MOs

Info

ID:	39295
PubChem CID:	8140098
Reduced:	OSN2C20H27 (1)
Stoich.:	ABC2D20E27 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	3.91
Dipole, Da:	3.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.987466
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2,4,6-trimethylphenoxy)acetamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(S2)CCCCC3

DOS

IR

Vibrations