Geometry & MOs

Info

ID:	148920
PubChem CID:	53788590
Reduced:	N2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	472.187733
ΔH_f, kcal/mol:	35.87
Dipole, Da:	2.27
IP(EA), eV:	-8.42(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(3,4-diaminophenyl)-4-oxobutyl]piperidin-4-yl] 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate

Drug info:

PubChemData

Smile

C1CNC[C@@H]([C@@H]1C2=CC(=CC=C2)N)C3=CC=CC=C3

DOS

IR

Vibrations