Geometry & MOs

Info

ID:	285470
PubChem CID:	104108274
Reduced:	NOC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	154.110613
ΔH_f, kcal/mol:	-88.37
Dipole, Da:	0.52
IP(EA), eV:	-8.79(2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-1,4-oxazepane-2-carbonitrile

Drug info:

PubChemData

Smile

CCCC1C(NC(CC(O1)C)C)CC

DOS

IR

Vibrations