Geometry & MOs

Info

ID:	330648
PubChem CID:	127248055
Reduced:	O3N5C15H25 (1)
Stoich.:	A3B5C15D25 (1)
Weight, g/mol:	326.220557
ΔH_f, kcal/mol:	-90.3
Dipole, Da:	3.5
IP(EA), eV:	-9.03(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxycyclohexyl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC(C1)(CN2CCOCC2)O)N3C=NC=N3

DOS

IR

Vibrations