Geometry & MOs

Info

ID:	367420
PubChem CID:	127324582
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-82.45
Dipole, Da:	2.98
IP(EA), eV:	-8.57(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyanophenoxy)-N-(1-cyclopropylpyrrolidin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)NC2CCN(C2)C3CC3)C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations