Geometry & MOs

Info

ID:	227923
PubChem CID:	87563031
Reduced:	ClON4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	412.178693
ΔH_f, kcal/mol:	12.44
Dipole, Da:	5.87
IP(EA), eV:	-9.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC2=NC(=NC=C2C(=O)N)Cl

DOS

IR

Vibrations