Geometry & MOs

Info

ID:	130841
PubChem CID:	51116268
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	39.79
Dipole, Da:	2.19
IP(EA), eV:	-8.62(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CN=C(C=C2)NC(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations