Geometry & MOs

Info

ID:	187668
PubChem CID:	77606536
Reduced:	NC5H5 (3)
Stoich.:	AB5C5 (3)
Weight, g/mol:	492.217284
ΔH_f, kcal/mol:	88.6
Dipole, Da:	5.18
IP(EA), eV:	-9.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-amino-1-(4-pyrazolidin-4-ylphenyl)propyl]-4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(=NCC2=CC=NC=C2)N

DOS

IR

Vibrations