Geometry & MOs

Info

ID:	221093
PubChem CID:	85256786
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	274.19328
ΔH_f, kcal/mol:	-63.67
Dipole, Da:	6.76
IP(EA), eV:	-9.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-10-methyl-12-prop-1-en-2-yltetracyclo[6.4.1.01,5.05,10]tridecan-9-one

Drug info:

PubChemData

Smile

CC(=C1C(CC(=O)O1)(C)C)C2=NC(C(C2)(C)C)(C)C#N

DOS

IR

Vibrations