Geometry & MOs

Info

ID:	426084
PubChem CID:	135136478
Reduced:	OC14H16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	351.196507
ΔH_f, kcal/mol:	14.76
Dipole, Da:	1.31
IP(EA), eV:	-8.5(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(4-chlorophenyl)-6-[ethyl(oxan-4-yl)amino]-2-methylhexan-3-one

Drug info:

PubChemData

Smile

C/C=C\C=C(/C=C\C)\OC1=CC=CC=C1

DOS

IR

Vibrations