Geometry & MOs

Info

ID:	365203
PubChem CID:	127317020
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-46.43
Dipole, Da:	7.76
IP(EA), eV:	-8.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-benzoylpiperidin-4-yl)-methylamino]-N-(1-cyclopropylpiperidin-4-yl)acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)N(C)C1(CCCCC1)C#N)C2CCN(CC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations