Geometry & MOs

Info

ID:	439363
PubChem CID:	135229136
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-46.03
Dipole, Da:	4.21
IP(EA), eV:	-8.48(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2-oxo-3-phenylmethoxypyridin-1-yl)propyl]carbamate

Drug info:

PubChemData

Smile

CCC[C@H](CO)C(=C)NC1=NC(=NC=C1OC)N

DOS

IR

Vibrations