Geometry & MOs

Info

ID:	418964
PubChem CID:	135107227
Reduced:	FN6C19H25 (1)
Stoich.:	AB6C19D25 (1)
Weight, g/mol:	629.321334
ΔH_f, kcal/mol:	54.36
Dipole, Da:	4.21
IP(EA), eV:	-8.62(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(furan-2-carbonyl)-10-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

CC1=C(N=CN1)CN(CCN(C)C)CC2=CN(N=C2)C3=CC=CC=C3F

DOS

IR

Vibrations