Geometry & MOs

Info

ID:	330634
PubChem CID:	127248041
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-61.15
Dipole, Da:	5.06
IP(EA), eV:	-9.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC1(CN2CCOCC2)O)C(=O)CCN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations