Geometry & MOs

Info

ID:	306458
PubChem CID:	125011789
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-25.62
Dipole, Da:	2.53
IP(EA), eV:	-8.33(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methoxyphenyl)oxan-4-yl]-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC1CCOCC1)[C@@H]2CCCN(C2)C3=CC=CC=N3

DOS

IR

Vibrations