Geometry & MOs

Info

ID:	410802
PubChem CID:	135083603
Reduced:	ON2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	168.151415
ΔH_f, kcal/mol:	-9.27
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.074424
Charge, e:	0

Chem-info

IUPAC name:

(4R,6S)-4-tert-butyl-1-methyl-7-oxabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=[N+]\2/C(CC(=O)N2)(C)C

DOS

IR

Vibrations