Geometry & MOs

Info

ID:	393461
PubChem CID:	135020637
Reduced:	OC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	516.231397
ΔH_f, kcal/mol:	-54.6
Dipole, Da:	3.08
IP(EA), eV:	-9.43(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,18,22,36-tetrazanonacyclo[32.2.1.13,6.116,19.121,24.05,10.012,17.023,28.030,35]tetraconta-1(37),3(40),5,7,9,12,14,16,19(39),21(38),23,25,27,30,32,34-hexadecaene

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@H](C1)CC=O)C(=C)C

DOS

IR

Vibrations