Geometry & MOs

Info

ID:	434515
PubChem CID:	135175112
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	3.41
IP(EA), eV:	-9.01(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations