Geometry & MOs

Info

ID:	18445
PubChem CID:	541038
Reduced:	ClNC30H46 (1)
Stoich.:	ABC30D46 (1)
Weight, g/mol:	455.331878
ΔH_f, kcal/mol:	-73.57
Dipole, Da:	1.87
IP(EA), eV:	-9.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-chloro-1,5-dimethyl-6-(6-methylheptan-2-yl)-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-triene

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=C(C=CN=C5C4)Cl)C)C

DOS

IR

Vibrations