Geometry & MOs

Info

ID:	432020
PubChem CID:	135172152
Reduced:	O2C9H16 (3)
Stoich.:	A2B9C16 (3)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-346.96
Dipole, Da:	1.04
IP(EA), eV:	-10.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3a,7a-dihydro-1,3-benzoxazol-6-yl)propyl]-5-ethyl-3a,7a-dihydro-1,3-benzoxazole

Drug info:

PubChemData

Smile

CCC(C)(CC)CC(COC(=O)C(C)(C)CC(C)(C)C(=O)OC(C)(CC)CC)OC(=O)C=C

DOS

IR

Vibrations