Geometry & MOs

Info

ID:	416697
PubChem CID:	135090126
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	470.264154
ΔH_f, kcal/mol:	-83.33
Dipole, Da:	3.84
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-methyl-11-(1-methylindazole-3-carbonyl)-5-propan-2-yl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)NC4CCNC4=O

DOS

IR

Vibrations