Geometry & MOs

Info

ID:	47933
PubChem CID:	10535877
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	-146.78
Dipole, Da:	7.37
IP(EA), eV:	-10.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine

Drug info:

PubChemData

Smile

CCCC1CC(=C(C1=O)CC(=O)O)C

DOS

IR

Vibrations