Geometry & MOs

Info

ID:	419200
PubChem CID:	135107729
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	540.306018
ΔH_f, kcal/mol:	14.36
Dipole, Da:	4.19
IP(EA), eV:	-8.64(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations