Geometry & MOs

Info

ID:	216651
PubChem CID:	85086561
Reduced:	OC6H8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-50.07
Dipole, Da:	5.24
IP(EA), eV:	-9.16(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-[2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCC2(C1=CC(OC23C=CC(=O)C=C3)OC)C)C

DOS

IR

Vibrations