Geometry & MOs

Info

ID:	157038
PubChem CID:	56413045
Reduced:	ClO2N4C23H37 (1)
Stoich.:	AB2C4D23E37 (1)
Weight, g/mol:	442.294391
ΔH_f, kcal/mol:	-82.39
Dipole, Da:	6.0
IP(EA), eV:	-8.51(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)N2CCC(CC2)CN3CC(OC(C3)C)C)Cl

DOS

IR

Vibrations