Geometry & MOs

Info

ID:	26598
PubChem CID:	793238
Reduced:	BrNC15H20 (1)
Stoich.:	ABC15D20 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	11.63
Dipole, Da:	2.63
IP(EA), eV:	-8.28(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S)-2-ethyl-2-methyloxan-4-yl]-(3-methylphenyl)methanone

Drug info:

PubChemData

Smile

C=CCC1(CCCCC1)NC2=CC=CC=C2Br

DOS

IR

Vibrations