Geometry & MOs

Info

ID:	26005
PubChem CID:	635545
Reduced:	NOC34H49 (1)
Stoich.:	ABC34D49 (1)
Weight, g/mol:	489.397065
ΔH_f, kcal/mol:	-81.19
Dipole, Da:	4.79
IP(EA), eV:	-7.92(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-methoxy-1,5-dimethyl-6-(6-methylheptan-2-yl)-22-azahexacyclo[11.11.0.02,10.05,9.015,23.016,21]tetracosa-15(23),16(21),17,19-tetraene

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC5=C4C6=CC=CC=C6N5C)C)C

DOS

IR

Vibrations