Geometry & MOs

Info

ID:	404604
PubChem CID:	135067557
Reduced:	NOBr2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	250.076057
ΔH_f, kcal/mol:	27.96
Dipole, Da:	3.8
IP(EA), eV:	-9.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[(2R)-4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=C(N=CC(=C2)Br)Br

DOS

IR

Vibrations