Geometry & MOs

Info

ID:	432351
PubChem CID:	135172484
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	281.179107
ΔH_f, kcal/mol:	-72.48
Dipole, Da:	4.19
IP(EA), eV:	-9.01(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-fluoro-5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one

Drug info:

PubChemData

Smile

CC(C)NC1CC(C1)OC2=NC=C(C=C2)CCC(=O)C

DOS

IR

Vibrations