Geometry & MOs

Info

ID:	439607
PubChem CID:	135229386
Reduced:	N3C27H41 (1)
Stoich.:	A3B27C41 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-2.31
Dipole, Da:	2.63
IP(EA), eV:	-8.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxypyrrolidin-1-yl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCC(CCCCC)C1(CCN(CC1)C2=CC=C(C=C2)C3=NC=CC=N3)C

DOS

IR

Vibrations