Geometry & MOs

Info

ID:	380129
PubChem CID:	134965074
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-106.6
Dipole, Da:	6.65
IP(EA), eV:	-9.53(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-3-pyridin-3-ylbut-3-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H]2C3(CC=CC(C3O)N1CC4=CC=CC=C4)OC(=O)N2

DOS

IR

Vibrations