Geometry & MOs

Info

ID:	189059
PubChem CID:	77811461
Reduced:	ClNO2C24H32 (1)
Stoich.:	ABC2D24E32 (1)
Weight, g/mol:	460.212885
ΔH_f, kcal/mol:	-64.3
Dipole, Da:	0.99
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-[3-chloro-2-(3-ethylphenoxy)phenyl]-4-hydroxy-4-piperidin-3-ylbutyl]carbamate

Drug info:

PubChemData

Smile

CCC1(CC(=CC=C1)C2=C(C=CC=C2Cl)C(CCC=C)(C3CNCCO3)O)C

DOS

IR

Vibrations