Geometry & MOs

Info

ID:	166336
PubChem CID:	74672765
Reduced:	N3O5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-159.97
Dipole, Da:	6.67
IP(EA), eV:	-9.67(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-(1-benzylpyrrolidin-1-ium-3-yl)-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1C(=O)C(C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations