Geometry & MOs

Info

ID:	378558
PubChem CID:	134224649
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	451.308644
ΔH_f, kcal/mol:	56.87
Dipole, Da:	5.49
IP(EA), eV:	-7.89(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-[[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methyl]naphthalen-2-yl]methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CO/C(=C\C#C)/CC1=NC2=C(NC=CN2C1=O)CC3=CC=CC=C3

DOS

IR

Vibrations