Geometry & MOs

Info

ID:	426283
PubChem CID:	135143178
Reduced:	ON2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	469.268905
ΔH_f, kcal/mol:	-58.65
Dipole, Da:	4.77
IP(EA), eV:	-8.74(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclohexyl]acetonitrile

Drug info:

PubChemData

Smile

CC1(CN(CC(=O)N(C1)C)C)C

DOS

IR

Vibrations