Geometry & MOs

Info

ID:	407614
PubChem CID:	135080363
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	176.08373
ΔH_f, kcal/mol:	10.21
Dipole, Da:	2.19
IP(EA), eV:	-9.52(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-phenyloxan-3-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)NCC(C2=CC=CC=C2)O)C

DOS

IR

Vibrations