Geometry & MOs

Info

ID:	29512
PubChem CID:	834616
Reduced:	ClO2N6C14H17 (1)
Stoich.:	AB2C6D14E17 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	8.96
Dipole, Da:	1.84
IP(EA), eV:	-9.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(tert-butylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NNC1=NC(=NC(=N1)Cl)N(C)C)OC2=CC=CC=C2

DOS

IR

Vibrations