Geometry & MOs

Info

ID:	245719
PubChem CID:	103023110
Reduced:	OC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	-134.42
Dipole, Da:	1.82
IP(EA), eV:	-9.88(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methoxy-3-methylbutyl)azepan-2-yl]methanol

Drug info:

PubChemData

Smile

CCCCCCC(=O)CC(C)(C)OC

DOS

IR

Vibrations