Geometry & MOs

Info

ID:	74358
PubChem CID:	48421768
Reduced:	NCl2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-75.58
Dipole, Da:	3.42
IP(EA), eV:	-9.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(methoxycarbonylamino)-3-phenylpropanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=C(C=C(C=C1)Cl)Cl)OCC2CC2

DOS

IR

Vibrations