Geometry & MOs

Info

ID:	319097
PubChem CID:	126654760
Reduced:	NO4C18H29 (1)
Stoich.:	AB4C18D29 (1)
Weight, g/mol:	351.240959
ΔH_f, kcal/mol:	-162.35
Dipole, Da:	3.48
IP(EA), eV:	-7.94(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[3-[3-[4-(propan-2-ylamino)phenoxy]propoxy]propoxy]butan-2-one

Drug info:

PubChemData

Smile

CC(C)C(=O)COCCOCCOC1=CC=C(C=C1)NC(C)C

DOS

IR

Vibrations