Geometry & MOs

Info

ID:	38445
PubChem CID:	8068448
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-135.96
Dipole, Da:	9.99
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-8-ethoxychromen-2-one

Drug info:

PubChemData

Smile

CNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)NC[C@H]3CCCO3

DOS

IR

Vibrations