Geometry & MOs

Info

ID:	137571
PubChem CID:	52228865
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	413.21888
ΔH_f, kcal/mol:	-33.53
Dipole, Da:	4.26
IP(EA), eV:	-8.51(0.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1)C)CN2CCC[C@H](C2)C(=O)NC3=CC=CC=C3C4=CC=C(C=C4)OC

DOS

IR

Vibrations