Geometry & MOs

Info

ID:	414013
PubChem CID:	135086966
Reduced:	N2O3H22C26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	19.18
Dipole, Da:	3.83
IP(EA), eV:	-8.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S,4S)-4-methyl-6-oxooxan-3-yl]carbamate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C1C(=O)NC3=CC=C(C=C3)OC)C#CC4=CC=C(C=C4)OC

DOS

IR

Vibrations