Geometry & MOs

Info

ID:	27439
PubChem CID:	821330
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	2.78
IP(EA), eV:	-9.93(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12R)-18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene

Drug info:

PubChemData

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C[C@]1(CC[C@@H]2[C@@H]1[C@@H]3[C@@H](C3(C)C)CCC2=O)O

DOS

IR

Vibrations