Geometry & MOs

Info

ID:	175341
PubChem CID:	75885137
Reduced:	BrClN2O4C18H18 (1)
Stoich.:	ABC2D4E18F18 (1)
Weight, g/mol:	293.197751
ΔH_f, kcal/mol:	-133.28
Dipole, Da:	2.38
IP(EA), eV:	-9.3(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(1-methoxypropan-2-yl)-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(C(=O)NCCNC(=O)C1=CC=C(C=C1)O)OC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations