Geometry & MOs

Info

ID:	49241
PubChem CID:	11532235
Reduced:	NO6C25H29 (1)
Stoich.:	AB6C25D29 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	-211.56
Dipole, Da:	3.93
IP(EA), eV:	-9.17(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-aminoethoxy)-5-carbamimidoylphenoxy]ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CN2C[C@@H]([C@H]([C@@H]2[C@@H]1OC(=O)C)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations