Geometry & MOs

Info

ID:	356912
PubChem CID:	127292520
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-69.93
Dipole, Da:	5.32
IP(EA), eV:	-8.12(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexanecarbonylamino)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)NC3CCN(C3)C4=CC=CC=C4

DOS

IR

Vibrations