Geometry & MOs

Info

ID:	350373
PubChem CID:	127277451
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	5.17
IP(EA), eV:	-9.11(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-3-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NCC2=CC=C(C=C2)C(=O)N3CCCC(C3)N4CCCC4

DOS

IR

Vibrations