Geometry & MOs

Info

ID:	18078
PubChem CID:	537053
Reduced:	ClN4C29H49 (1)
Stoich.:	AB4C29D49 (1)
Weight, g/mol:	488.364575
ΔH_f, kcal/mol:	-36.03
Dipole, Da:	7.54
IP(EA), eV:	-10.42(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-18-(5-ethyl-6-methylheptan-2-yl)-2,19-dimethyl-8,9,10,11-tetrazapentacyclo[12.7.0.02,7.08,12.015,19]henicosa-9,11-diene

Drug info:

PubChemData

Smile

CCC(CCC(C)C1CCC2C1(CCC3C2CC4=NN=NN4C5C3(CCC(C5)Cl)C)C)C(C)C

DOS

IR

Vibrations