Geometry & MOs

Info

ID:	29486
PubChem CID:	834233
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	2.99
IP(EA), eV:	-9.21(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S)-2-ethyl-2-methyloxan-4-yl]-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNCC2=CC(=CC=C2)Br

DOS

IR

Vibrations