Geometry & MOs

Info

ID:	220565
PubChem CID:	85197834
Reduced:	N3O5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	331.178358
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	6.92
IP(EA), eV:	-9.09(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2,2-dimethyl-4-(2-phenylethynyl)-1,3-dioxan-5-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)ONC(=C1C(=O)C=CC=N1)C2=C(C=CC(=C2)[N+](=O)[O-])O

DOS

IR

Vibrations