Geometry & MOs

Info

ID:	234606
PubChem CID:	92303158
Reduced:	SN2O6H18C20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-186.79
Dipole, Da:	4.5
IP(EA), eV:	-8.36(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[(4-ethoxyphenyl)carbamoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/SC2=O

DOS

IR

Vibrations