Geometry & MOs

Info

ID:	217835
PubChem CID:	85088461
Reduced:	ClNO2C24H34 (1)
Stoich.:	ABC2D24E34 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-93.67
Dipole, Da:	5.63
IP(EA), eV:	-9.18(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,20-dimethoxy-3,5,14,16-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C#CCCCCl)O)CCC4C3(C=CC(=O)N4C)C

DOS

IR

Vibrations