Geometry & MOs

Info

ID:	186411
PubChem CID:	77427583
Reduced:	BrC26H45 (1)
Stoich.:	AB26C45 (1)
Weight, g/mol:	662.2329
ΔH_f, kcal/mol:	-81.14
Dipole, Da:	2.62
IP(EA), eV:	-10.07(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-iodophenyl)methyl]-17-methyl-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione

Drug info:

PubChemData

Smile

CC1CC(CCCC2CCCCC2C1(C)C)C3CCC4CC(CCC4C3)Br

DOS

IR

Vibrations