Geometry & MOs

Info

ID:	392609
PubChem CID:	135017339
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	483.194677
ΔH_f, kcal/mol:	-139.18
Dipole, Da:	4.41
IP(EA), eV:	-9.83(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-[2,6-di(propan-2-yl)phenyl]-3,9,16-triazahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,11,13,18(22),19-decaene-15,17-dione

Drug info:

PubChemData

Smile

CCC1C=CC(CC1C=O)CC(=O)OCC

DOS

IR

Vibrations