Geometry & MOs

Info

ID:	216006
PubChem CID:	85085570
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-133.76
Dipole, Da:	4.51
IP(EA), eV:	-10.32(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(7-methyl-3,3a,4,5-tetrahydropyrano[3,4-c][1,2]oxazol-7-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C=C)C1C2COC(N2C(=O)O1)(C)C

DOS

IR

Vibrations