Geometry & MOs

Info

ID:	422431
PubChem CID:	135117822
Reduced:	FON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	403.25834
ΔH_f, kcal/mol:	-42.0
Dipole, Da:	4.26
IP(EA), eV:	-8.55(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)NCC4=CC(=CC=C4)F

DOS

IR

Vibrations