Geometry & MOs

Info

ID:	423035
PubChem CID:	135118818
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	540.306018
ΔH_f, kcal/mol:	-95.77
Dipole, Da:	4.25
IP(EA), eV:	-8.92(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CCN3C(=CC(=N3)C)C)O

DOS

IR

Vibrations