Geometry & MOs

Info

ID:	434334
PubChem CID:	135174698
Reduced:	NO2C20H33 (1)
Stoich.:	AB2C20D33 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-109.08
Dipole, Da:	5.18
IP(EA), eV:	-8.78(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[3-(propan-2-ylamino)phenoxy]phenyl]methoxy]butan-2-one

Drug info:

PubChemData

Smile

CCCCCC(C)C(=O)CC1=CC=C(C=C1)OCCNC(C)C

DOS

IR

Vibrations