Geometry & MOs

Info

ID:	184595
PubChem CID:	77181710
Reduced:	N3O5C23H33 (1)
Stoich.:	A3B5C23D33 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-199.55
Dipole, Da:	4.36
IP(EA), eV:	-8.19(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-(2,6-dimethyloxan-4-yl)carbamic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C(=O)C3CC(CCC3N(C2=O)C4CCOCC4)CN)OC

DOS

IR

Vibrations