Geometry & MOs

Info

ID:	319102
PubChem CID:	126654783
Reduced:	N2O3C15H24 (1)
Stoich.:	A2B3C15D24 (1)
Weight, g/mol:	307.194757
ΔH_f, kcal/mol:	-108.91
Dipole, Da:	1.08
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)COC1=CN=C(C=C1)OCCNC(C)C

DOS

IR

Vibrations