Geometry & MOs

Info

ID:	141828
PubChem CID:	52935200
Reduced:	NO2C23H32 (1)
Stoich.:	AB2C23D32 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-63.28
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.761870
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]cyclohexyl] piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C34CC(=O)CC5(N4[O])C6CC7CC(C6)CC5C7

DOS

IR

Vibrations