Geometry & MOs

Info

ID:	65000
PubChem CID:	29204316
Reduced:	N2O2Cl3H13C15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	421.072675
ΔH_f, kcal/mol:	-38.24
Dipole, Da:	4.93
IP(EA), eV:	-9.39(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2,4,6-trichloroanilino)carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COCC1=CC(=CC=C1)C(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations