Geometry & MOs

Info

ID:	140521
PubChem CID:	52714701
Reduced:	ClON3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	431.161184
ΔH_f, kcal/mol:	-15.92
Dipole, Da:	4.36
IP(EA), eV:	-8.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NCCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations