Geometry & MOs

Info

ID:	186054
PubChem CID:	77384828
Reduced:	ClO2N3C26H42 (1)
Stoich.:	AB2C3D26E42 (1)
Weight, g/mol:	427.212551
ΔH_f, kcal/mol:	-137.14
Dipole, Da:	2.47
IP(EA), eV:	-9.42(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(6-chloro-6-methylcyclohexa-2,4-dien-1-yl)-(2-ethoxy-2-oxoethoxy)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(C1CCCN(C1)C(=O)NC(C)(CC2CCCCC2)CN)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations