Geometry & MOs

Info

ID:	185804
PubChem CID:	77350612
Reduced:	ClO3N4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	544.167747
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	3.96
IP(EA), eV:	-8.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCCN(CN)C(=O)CC1=CC=C(C2=CC=CC=C12)C=NNC(=O)C3=CC(=C(C=C3)O)Cl

DOS

IR

Vibrations