Geometry & MOs

Info

ID:	21543
PubChem CID:	588880
Reduced:	NC33H49 (1)
Stoich.:	AB33C49 (1)
Weight, g/mol:	459.386501
ΔH_f, kcal/mol:	-46.07
Dipole, Da:	2.42
IP(EA), eV:	-7.99(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-6-(6-methylheptan-2-yl)-16-azahexacyclo[11.11.0.02,10.05,9.015,23.017,22]tetracosa-15(23),17,19,21-tetraene

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=C(C4)NC6=CC=CC=C56)C)C

DOS

IR

Vibrations