Geometry & MOs

Info

ID:	415370
PubChem CID:	135088364
Reduced:	ON3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	629.368953
ΔH_f, kcal/mol:	-29.71
Dipole, Da:	2.69
IP(EA), eV:	-8.27(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-17-[(1-methylimidazol-2-yl)methyl]-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCOC2=CC=CC=C2CN3CCCC3C

DOS

IR

Vibrations