Geometry & MOs

Info

ID:	129910
PubChem CID:	51074246
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-24.14
Dipole, Da:	4.83
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3-acetylphenoxy)-2-hydroxypropyl]-methylamino]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)N)COC2=CC=CC3=C2CCCC3O

DOS

IR

Vibrations