Geometry & MOs

Info

ID:	126186
PubChem CID:	50954885
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	354.134635
ΔH_f, kcal/mol:	-8.55
Dipole, Da:	1.83
IP(EA), eV:	-8.73(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenoxy)-N-[(3S,4R)-4-methoxyoxolan-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCC3=C(C2)C(=NN3)C(C)C

DOS

IR

Vibrations