Geometry & MOs

Info

ID:	417951
PubChem CID:	135103164
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	588.342404
ΔH_f, kcal/mol:	12.24
Dipole, Da:	1.08
IP(EA), eV:	-8.82(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-11-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC(COC)C2=CC=CC=N2)C

DOS

IR

Vibrations