Geometry & MOs

Info

ID:	419317
PubChem CID:	135107971
Reduced:	ON3C6H9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	609.363868
ΔH_f, kcal/mol:	-0.61
Dipole, Da:	4.18
IP(EA), eV:	-10.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12R)-3-benzyl-13-(2-ethyl-5-propan-2-ylpyrazole-3-carbonyl)-7,12-dimethyl-9-propan-2-yl-1,4,7,10,13-pentazacyclohexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)CN(C)C(=O)C(C)CN2C=NC=N2

DOS

IR

Vibrations